1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone

C13H17NO — CID 15720196

IUPAC1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(15)13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m0/s1
InChIKeyNJPGHZBVAGZDCV-ZDUSSCGKSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds3

About 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone

1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone (PubChem CID 15720196) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone
PubChem CID15720196
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(15)13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m0/s1
InChIKeyNJPGHZBVAGZDCV-ZDUSSCGKSA-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

Analyze 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone 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

Alpha-Pyrrolidinopropiophenone
CID 209045
Alpha-Pyrrolidinobutiophenone
CID 23199082
5-Acetyl-1-benzylpyrrolidin-2-one
CID 19834189
3-Piperidinone, 1-(phenylmethyl)-
CID 96650
1-(1-Benzylpyrrolidin-3-yl)ethan-1-one
CID 357952
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-Benzylpyrrolidine-2,3-dione
CID 11171472
1-Benzyl-4-methylpyrrolidin-3-one
CID 12430980
1-Benzyl-3-pyrrolidinone
CID 69890
8-Benzyl-8-azabicyclo(3.2.1)octan-3-one
CID 119846
Methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-Benzyl-3-piperidone hydrochloride hydrate
CID 3084924

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone (CID 15720196) is 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone?
The InChIKey is NJPGHZBVAGZDCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(15)13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone?
1-[(2S)-1-benzylpyrrolidin-2-yl]ethanone 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-[(2S)-1-benzylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 15720196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).