(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone

C17H22ClNO — CID 125473639

IUPAC(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C17H22ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-16H,1-6,11-12H2/t15-,16+/m1/s1
InChIKeyNYPOXWYRZIEJON-CVEARBPZSA-N
MW291.82 g/mol
LogP4.18
Rot. Bonds3

About (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone

(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone (PubChem CID 125473639) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
PubChem CID125473639
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C17H22ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-16H,1-6,11-12H2/t15-,16+/m1/s1
InChIKeyNYPOXWYRZIEJON-CVEARBPZSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
CID 4327005
(1-But-3-enoylpiperidin-3-yl)(4-chlorophenyl)methanone
CID 23723418
1-(3-Chlorophenyl)-3-(piperidin-1-yl)propan-1-one
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1-(4-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one
CID 10948383

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The IUPAC name of (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone (CID 125473639) is (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone is O=C(c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The InChIKey is NYPOXWYRZIEJON-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-14-9-7-13(8-10-14)17(20)15-5-1-2-6-16(15)19-11-3-4-12-19/h7-10,15-16H,1-6,11-12H2/t15-,16+/m1/s1.
What are the key properties of (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone?
(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone has a molecular weight of 291.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone is sourced from PubChem (CID 125473639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).