2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone

C13H16ClNO — CID 116592173

IUPAC2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
SMILESCC1NCCC1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-11(6-7-15-9)13(16)8-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3
InChIKeyRTTCUKBPGJRGLH-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone

2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone (PubChem CID 116592173) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
PubChem CID116592173
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
SMILESCC1NCCC1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-11(6-7-15-9)13(16)8-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3
InChIKeyRTTCUKBPGJRGLH-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 112739545
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592208

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone (CID 116592173) is 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone is CC1NCCC1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone?
The InChIKey is RTTCUKBPGJRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-11(6-7-15-9)13(16)8-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone?
2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone has a molecular weight of 237.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).