2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile

C16H18ClNO — CID 43156875

IUPAC2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
SMILESN#CC(C(=O)CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c17-14-8-6-13(7-9-14)15(11-18)16(19)10-5-12-3-1-2-4-12/h6-9,12,15H,1-5,10H2
InChIKeySEHUMDRNSRTBFU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile

2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile (PubChem CID 43156875) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
PubChem CID43156875
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
SMILESN#CC(C(=O)CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c17-14-8-6-13(7-9-14)15(11-18)16(19)10-5-12-3-1-2-4-12/h6-9,12,15H,1-5,10H2
InChIKeySEHUMDRNSRTBFU-UHFFFAOYSA-N
XLogP4.49
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-2-(3-methylphenyl)-3-oxopentanenitrile
CID 62828902
2-(4-chlorophenyl)-3-cyclohexyl-3-oxopropanenitrile
CID 13470640
2-(4-chlorophenyl)-3-oxo-4-(oxolan-2-yl)butanenitrile
CID 65155523
(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95899867
2-(3,4-dichlorophenyl)-5-(oxan-2-yl)-3-oxopentanenitrile
CID 63952950
(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
CID 41137891
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide
CID 11300134
4-cycloheptyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 114457994
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
CID 773172
4-cyclohexyl-2-(4-ethoxyphenyl)-3-oxobutanenitrile
CID 43334715
2-(4-chlorophenyl)-3-(oxan-4-yl)-3-oxopropanenitrile
CID 62905150
4-cyclobutyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 103163886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile (CID 43156875) is 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile is N#CC(C(=O)CCC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile?
The InChIKey is SEHUMDRNSRTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-14-8-6-13(7-9-14)15(11-18)16(19)10-5-12-3-1-2-4-12/h6-9,12,15H,1-5,10H2.
What are the key properties of 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile?
2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile has a molecular weight of 275.78 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile is sourced from PubChem (CID 43156875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).