(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

C16H20ClNO — CID 79059436

IUPAC(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(c1ccccc1Cl)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H20ClNO/c17-14-8-2-1-7-13(14)15(19)16(9-3-4-10-16)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2
InChIKeyALYPAVOLSPMRJF-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.93
Rot. Bonds3

About (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 79059436) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID79059436
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(c1ccccc1Cl)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H20ClNO/c17-14-8-2-1-7-13(14)15(19)16(9-3-4-10-16)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2
InChIKeyALYPAVOLSPMRJF-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
(2,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79058928
(2,4-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057464
(2-methoxyphenyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059290
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
(4-methyl-2-sulfanylphenyl)-(1-piperidin-1-ylcyclohexyl)methanone
CID 174821588
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057457
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 114641237
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(1-piperidin-1-ylcyclopentyl)-thiophen-3-ylmethanone
CID 79057980

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 79059436) is (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is O=C(c1ccccc1Cl)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is ALYPAVOLSPMRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-14-8-2-1-7-13(14)15(19)16(9-3-4-10-16)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2.
What are the key properties of (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 277.79 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79059436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).