1-(4-oxopentyl)-4-propylpyrrolidin-2-one

C12H21NO2 — CID 104512085

IUPAC1-(4-oxopentyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCCC(C)=O)C1
InChIInChI=1S/C12H21NO2/c1-3-5-11-8-12(15)13(9-11)7-4-6-10(2)14/h11H,3-9H2,1-2H3
InChIKeyANGMBQWTXOCDOC-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds6

About 1-(4-oxopentyl)-4-propylpyrrolidin-2-one

1-(4-oxopentyl)-4-propylpyrrolidin-2-one (PubChem CID 104512085) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(4-oxopentyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-oxopentyl)-4-propylpyrrolidin-2-one
PubChem CID104512085
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(4-oxopentyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCCC(C)=O)C1
InChIInChI=1S/C12H21NO2/c1-3-5-11-8-12(15)13(9-11)7-4-6-10(2)14/h11H,3-9H2,1-2H3
InChIKeyANGMBQWTXOCDOC-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377
4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide
CID 67365761
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
4-(2-oxo-4-propylazepan-1-yl)butanamide
CID 90159149
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
S-[(1-octyl-5-oxopyrrolidin-3-yl)methyl] ethanethioate
CID 168666425
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopentyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(4-oxopentyl)-4-propylpyrrolidin-2-one (CID 104512085) is 1-(4-oxopentyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-oxopentyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(4-oxopentyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CCCC(C)=O)C1.
What is the InChIKey of 1-(4-oxopentyl)-4-propylpyrrolidin-2-one?
The InChIKey is ANGMBQWTXOCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-11-8-12(15)13(9-11)7-4-6-10(2)14/h11H,3-9H2,1-2H3.
What are the key properties of 1-(4-oxopentyl)-4-propylpyrrolidin-2-one?
1-(4-oxopentyl)-4-propylpyrrolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopentyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).