1-benzyl-2-ethylpyrrolidin-3-one

C13H17NO — CID 83848143

IUPAC1-benzyl-2-ethylpyrrolidin-3-one
SMILESCCC1C(=O)CCN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-12-13(15)8-9-14(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyCYGIKAFZPXBGQF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds3

About 1-benzyl-2-ethylpyrrolidin-3-one

1-benzyl-2-ethylpyrrolidin-3-one (PubChem CID 83848143) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-benzyl-2-ethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-ethylpyrrolidin-3-one
PubChem CID83848143
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-benzyl-2-ethylpyrrolidin-3-one
SMILESCCC1C(=O)CCN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-12-13(15)8-9-14(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyCYGIKAFZPXBGQF-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176924747
1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile
CID 83851093
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
2-(2-aminoethyl)-1-benzylazepan-3-one
CID 83488222
1-benzyl-2-propylpiperidin-4-one
CID 123828340
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
CID 121308578
1,3-dibenzyl-2,2-dimethylpiperidin-4-one
CID 146657823
1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 106899928
(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 174154321
1-benzyl-4-ethyl-6-phenylpiperidin-3-one
CID 170718651

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethylpyrrolidin-3-one?
The IUPAC name of 1-benzyl-2-ethylpyrrolidin-3-one (CID 83848143) is 1-benzyl-2-ethylpyrrolidin-3-one.
What is the SMILES notation for 1-benzyl-2-ethylpyrrolidin-3-one?
The canonical SMILES for 1-benzyl-2-ethylpyrrolidin-3-one is CCC1C(=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethylpyrrolidin-3-one?
The InChIKey is CYGIKAFZPXBGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12-13(15)8-9-14(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of 1-benzyl-2-ethylpyrrolidin-3-one?
1-benzyl-2-ethylpyrrolidin-3-one has a molecular weight of 203.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethylpyrrolidin-3-one is sourced from PubChem (CID 83848143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).