5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(cyclopentylacetyl)-6-methyl-

HCID 39665

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50416-37-0
Standard SMILES: Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)CC1CCCC1)OCO3
InChIKey: GWRWKLAWODWDBO-UHFFFAOYSA-N
Molecular formula: C19H21NO5
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.14197277

Names & identifiers

Preferred name: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(cyclopentylacetyl)-6-methyl-
IUPAC: 2-[5-(2-cyclopentylacetyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
English name: 5-(Cyclopentylacetyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid
Molecular formula: C19H21NO5
Molecular weight: 343.37

Names & synonyms

50416-37-0BRN 10379455H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-(CYCLOPENTYLACETYL)-6-METHYL-DTXSID501984615-(Cyclopentylacetyl)-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid5-(Cyclopentylacetyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acidRefChem:305237DTXCID80120952DB-263347[5-(Cyclopentylacetyl)-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 5-(2-cyclopentylacetyl)-6-methyl-

Database identifiers

CAS: 50416-37-0
PubChem CID: 39665
DTXSID: DTXSID50198461
Nikkaji: J83.737G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 532

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…