1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one

C16H23NO2 — CID 166943014

IUPAC1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
SMILESCCC(O)(CC)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H23NO2/c1-3-16(19,4-2)14-10-11-17(15(14)18)12-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3
InChIKeyMEHNDMHTSNNONA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds5

About 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one

1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one (PubChem CID 166943014) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
PubChem CID166943014
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
SMILESCCC(O)(CC)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H23NO2/c1-3-16(19,4-2)14-10-11-17(15(14)18)12-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3
InChIKeyMEHNDMHTSNNONA-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
ethyl 1-benzyl-2-oxopiperidine-3-carboxylate;hydrochloride
CID 70449395
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one (CID 166943014) is 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one is CCC(O)(CC)C1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one?
The InChIKey is MEHNDMHTSNNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(19,4-2)14-10-11-17(15(14)18)12-13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3.
What are the key properties of 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one?
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 166943014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).