1-(1-methylpyrrolidin-2-yl)-2-phenylethanone

C13H17NO — CID 129033929

IUPAC1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
SMILESCN1CCCC1C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-14-9-5-8-12(14)13(15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyXVSKCGKREFMJED-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.89
Rot. Bonds3

About 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone

1-(1-methylpyrrolidin-2-yl)-2-phenylethanone (PubChem CID 129033929) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
PubChem CID129033929
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
SMILESCN1CCCC1C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-14-9-5-8-12(14)13(15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyXVSKCGKREFMJED-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone 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

phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
2-phenyl-1-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 160707821
(2S)-2-(methylamino)-3-phenylpropanoic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 161392114
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
CID 682262
[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 25157488
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone (CID 129033929) is 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone is CN1CCCC1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone?
The InChIKey is XVSKCGKREFMJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-9-5-8-12(14)13(15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone?
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone has a molecular weight of 203.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-2-phenylethanone is sourced from PubChem (CID 129033929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).