1-(1,3-Dioxobutyl)pyrrolidine

HCID 100722CAS 41153-96-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)CC(=O)N1CCCC1
InChIKey
GOHRQEHMWBECSS-UHFFFAOYSA-N
Molecular formula
C8H13NO2
Average molar mass
155.19 g/mol
Monoisotopic mass
155.09462866

Names & identifiers

Preferred name
1-(1,3-Dioxobutyl)pyrrolidine
IUPAC
1-pyrrolidin-1-ylbutane-1,3-dione
English name
1-(1,3-dioxobutyl)pyrrolidine
Molecular formula
C8H13NO2
Molecular weight
155.19

Names & synonyms

1-(1,3-Dioxobutyl)pyrrolidine1-(pyrrolidin-1-yl)butane-1,3-dione41153-96-21-pyrrolidinylbutane-1,3-dioneEINECS 255-242-1NSC3542551-(3-oxobutyryl)pyrrolidineSCHEMBL2417219DTXSID10194085SBB056518AKOS000165748NSC 354255
Show more names
1-(3-Oxobutanoyl)pyrrolidine1-Pyrrolizino-1,3-butanedione1,3-Butanedione, 1-(1-pyrrolidinyl)-
NSC-354255NS00030930ST50973523

Database identifiers

CAS
41153-96-2
PubChem CID
100722
DTXSID
DTXSID10194085
EC Number
255-242-1
Nikkaji
J294.843E

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
292.4 · 292.4±23.0 °C(Predicted)
Density
1.099 · 1.099±0.06 g/cm3(Predicted)
pka
12.97 · 12.97±0.20(Predicted)

Chemistry & industry

Suppliers1 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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