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

C12H15NO — CID 91015511

IUPAC1-(2-phenylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CCCN1
InChIInChI=1S/C12H15NO/c1-10(14)12(8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyKITPDPOVVRXNAV-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds2

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

1-(2-phenylpyrrolidin-2-yl)ethanone (PubChem CID 91015511) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-phenylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenylpyrrolidin-2-yl)ethanone
PubChem CID91015511
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2-phenylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CCCN1
InChIInChI=1S/C12H15NO/c1-10(14)12(8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyKITPDPOVVRXNAV-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-phenylazepane-2-carboxylate
CID 102027504
(2R)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141351332
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
CID 141351322
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
2-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 70486714
N,2-dimethyl-N-(2-phenylpyrrolidin-2-yl)propanamide
CID 173069217
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185
(2-phenylpiperidin-2-yl)methyl acetate
CID 141381803
N-methyl-2-pyridin-2-ylpyrrolidine-2-carboxamide
CID 73439506
2-phenylpiperidin-2-ol
CID 173102945

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(2-phenylpyrrolidin-2-yl)ethanone (CID 91015511) is 1-(2-phenylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(2-phenylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(2-phenylpyrrolidin-2-yl)ethanone is CC(=O)C1(c2ccccc2)CCCN1.
What is the InChIKey of 1-(2-phenylpyrrolidin-2-yl)ethanone?
The InChIKey is KITPDPOVVRXNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)12(8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3.
What are the key properties of 1-(2-phenylpyrrolidin-2-yl)ethanone?
1-(2-phenylpyrrolidin-2-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 91015511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).