1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone

C13H17NO — CID 15365754

IUPAC1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(c2ccccc2)CC1C
InChIInChI=1S/C13H17NO/c1-10-8-13(9-14(10)11(2)15)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyBMQZPCRCLMHOMO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds1

About 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone

1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone (PubChem CID 15365754) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
PubChem CID15365754
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(c2ccccc2)CC1C
InChIInChI=1S/C13H17NO/c1-10-8-13(9-14(10)11(2)15)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyBMQZPCRCLMHOMO-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
CID 57185513
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120550364
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115456

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone (CID 15365754) is 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone is CC(=O)N1CC(c2ccccc2)CC1C.
What is the InChIKey of 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is BMQZPCRCLMHOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-13(9-14(10)11(2)15)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone?
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 203.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 15365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).