4-(3-chlorophenyl)pentanenitrile

C11H12ClN — CID 83924586

IUPAC4-(3-chlorophenyl)pentanenitrile
SMILESCC(CCC#N)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN/c1-9(4-3-7-13)10-5-2-6-11(12)8-10/h2,5-6,8-9H,3-4H2,1H3
InChIKeyVIROGBYZHLPALO-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.75
Rot. Bonds3

About 4-(3-chlorophenyl)pentanenitrile

4-(3-chlorophenyl)pentanenitrile (PubChem CID 83924586) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)pentanenitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)pentanenitrile
PubChem CID83924586
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-(3-chlorophenyl)pentanenitrile
SMILESCC(CCC#N)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN/c1-9(4-3-7-13)10-5-2-6-11(12)8-10/h2,5-6,8-9H,3-4H2,1H3
InChIKeyVIROGBYZHLPALO-UHFFFAOYSA-N
XLogP3.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,5-dichlorophenyl)hexanenitrile
CID 19955457
3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
2-(3-chlorophenyl)-3-methylhexanenitrile
CID 107886154
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
3-(3-chlorophenyl)pentanenitrile
CID 83685399
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
1-[5-(3-chlorophenyl)hexan-2-yl]-2,3-dimethylbenzene
CID 130224575
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)pentanenitrile?
The IUPAC name of 4-(3-chlorophenyl)pentanenitrile (CID 83924586) is 4-(3-chlorophenyl)pentanenitrile.
What is the SMILES notation for 4-(3-chlorophenyl)pentanenitrile?
The canonical SMILES for 4-(3-chlorophenyl)pentanenitrile is CC(CCC#N)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)pentanenitrile?
The InChIKey is VIROGBYZHLPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-9(4-3-7-13)10-5-2-6-11(12)8-10/h2,5-6,8-9H,3-4H2,1H3.
What are the key properties of 4-(3-chlorophenyl)pentanenitrile?
4-(3-chlorophenyl)pentanenitrile has a molecular weight of 193.68 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)pentanenitrile is sourced from PubChem (CID 83924586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).