3-(3-oxobutyl)pyrrolidin-2-one

C8H13NO2 — CID 82416368

IUPAC3-(3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CCNC1=O
InChIInChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-9-8(7)11/h7H,2-5H2,1H3,(H,9,11)
InChIKeyXJXCUUXCTFPOIR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds3

About 3-(3-oxobutyl)pyrrolidin-2-one

3-(3-oxobutyl)pyrrolidin-2-one (PubChem CID 82416368) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-oxobutyl)pyrrolidin-2-one
PubChem CID82416368
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CCNC1=O
InChIInChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-9-8(7)11/h7H,2-5H2,1H3,(H,9,11)
InChIKeyXJXCUUXCTFPOIR-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-oxobutyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-(3-oxo-3-phenylpropyl)pyrrolidin-2-one
CID 59078984
3-(3-methylbut-3-enyl)azepan-2-one
CID 114477837
3-(3-methylsulfonylpropyl)pyrrolidin-2-one
CID 104679318
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
CID 104679374
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
(3S)-3-[3-(1,3-benzothiazol-2-yl)-3-oxopropyl]pyrrolidin-2-one
CID 170307610
3-(6-oxoheptyl)azetidin-2-one
CID 118909905
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-(3-amino-2-oxopropyl)pyrrolidin-2-one
CID 118532209

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-oxobutyl)pyrrolidin-2-one (CID 82416368) is 3-(3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-oxobutyl)pyrrolidin-2-one is CC(=O)CCC1CCNC1=O.
What is the InChIKey of 3-(3-oxobutyl)pyrrolidin-2-one?
The InChIKey is XJXCUUXCTFPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-9-8(7)11/h7H,2-5H2,1H3,(H,9,11).
What are the key properties of 3-(3-oxobutyl)pyrrolidin-2-one?
3-(3-oxobutyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 82416368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).