2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile

C15H16ClNO2 — CID 65155584

IUPAC2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile
SMILESN#CC(C(=O)CCC1CCCO1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2/c16-14-6-2-1-5-12(14)13(10-17)15(18)8-7-11-4-3-9-19-11/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyPNOZPCYYIDCRNL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile

2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile (PubChem CID 65155584) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile
PubChem CID65155584
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile
SMILESN#CC(C(=O)CCC1CCCO1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2/c16-14-6-2-1-5-12(14)13(10-17)15(18)8-7-11-4-3-9-19-11/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyPNOZPCYYIDCRNL-UHFFFAOYSA-N
XLogP3.48
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-5-(oxan-2-yl)-3-oxopentanenitrile
CID 63952950
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
2-(2-chlorophenyl)-3-oxononanenitrile
CID 70593681
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
2-(4-chlorophenyl)-3-oxo-4-(oxolan-2-yl)butanenitrile
CID 65155523
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
CID 116567022
2-(2-chlorophenyl)-5-(4-methylphenyl)-3-oxopentanenitrile
CID 62503456
1-(3-chloro-2-fluorophenyl)-4-(oxolan-2-yl)butan-2-one
CID 82802705
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
4-cyclopropyl-1-(oxolan-2-yl)pentan-3-one
CID 114976906
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile (CID 65155584) is 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile is N#CC(C(=O)CCC1CCCO1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile?
The InChIKey is PNOZPCYYIDCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-14-6-2-1-5-12(14)13(10-17)15(18)8-7-11-4-3-9-19-11/h1-2,5-6,11,13H,3-4,7-9H2.
What are the key properties of 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile?
2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile has a molecular weight of 277.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile is sourced from PubChem (CID 65155584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).