1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one

HCID 363343

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Basic information

CAS: 41058-67-7
Standard SMILES: O=C1Nc2ccccc2C12CCCC2
InChIKey: WFPNMCKAQLBEMD-UHFFFAOYSA-N
Molecular formula: C12H13NO
Average molar mass: 187.24 g/mol

Names & identifiers

Preferred name: 1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one
IUPAC: spiro[1H-indole-3,1'-cyclopentane]-2-one
English name: spiro[cyclopentane-1,3'-indolin]-2'-one
Molecular formula: C12H13NO
Molecular weight: 187.24

Names & synonyms

41058-67-71',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one1',2'-dihydrospiro(cyclopentane-1,3'-indole)-2'-oneRefChem:408766851-360-8Spiro[cyclopentane-1,3'-indolin]-2'-oneMFCD11935112Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-onespiro[cyclopentane-1,3'-indol]-2'(1'h)-oneNSC628199spiro[cyclopentane-1,3'-indoline]-2'-oneSpiro(cyclopentane-1,3'-indoline)-2'-one

Show more names

1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'- one

spiro(cyclopentane-1,3'-indol)-2'(1'H)-onespiro[1H-indole-3,1'-cyclopentane]-2-oneSCHEMBL1268479SCHEMBL7688647CHEMBL1973827SCHEMBL29387092WFPNMCKAQLBEMD-UHFFFAOYSA-N1`,2`-DIHYDROSPIRO[CYCLOPENTANE-1,3`-INDOLE]-2`-ONE

Database identifiers

CAS: 41058-67-7
PubChem CID: 363343
ChEMBL: CHEMBL1973827
EC Number: 851-360-8
Nikkaji: J465.527C

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 255

Physicochemical properties

Melting point: 113 °C · 113 °C
Boiling point: 371.5 · 371.5±31.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
pka: 14.1 · 14.10±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501