1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one

C14H17NO2 — CID 59305555

IUPAC1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-11(16)9-13-7-8-15(14(13)17)10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyPAONVRBBXHZGKI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds4

About 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one

1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 59305555) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
PubChem CID59305555
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-11(16)9-13-7-8-15(14(13)17)10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyPAONVRBBXHZGKI-UHFFFAOYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
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(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 20641776
methoxycarbonyl 2-(1-benzyl-2-oxopiperidin-3-yl)acetate
CID 10756957
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
CID 10707247
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
CID 166943014
tert-butyl 2-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetate
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3-acetyl-1-benzylazetidin-2-one
CID 13222627

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one (CID 59305555) is 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CC1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is PAONVRBBXHZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)9-13-7-8-15(14(13)17)10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one?
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 59305555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).