3-(1-methylcyclopentyl)benzonitrile

C13H15N — CID 23371913

IUPAC3-(1-methylcyclopentyl)benzonitrile
SMILESCC1(c2cccc(C#N)c2)CCCC1
InChIInChI=1S/C13H15N/c1-13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUJXVGZCKGRMPLE-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.39
Rot. Bonds1

About 3-(1-methylcyclopentyl)benzonitrile

3-(1-methylcyclopentyl)benzonitrile (PubChem CID 23371913) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)benzonitrile.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)benzonitrile
PubChem CID23371913
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(1-methylcyclopentyl)benzonitrile
SMILESCC1(c2cccc(C#N)c2)CCCC1
InChIInChI=1S/C13H15N/c1-13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUJXVGZCKGRMPLE-UHFFFAOYSA-N
XLogP3.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117280517
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
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4-(3-ethynylphenyl)-4-methyloxane
CID 143958292
methane;(1-methylcyclopentyl)benzene
CID 143499824
3-(3-cyanophenyl)piperidine-3-carboxylic acid
CID 117050284
3-(1-tert-butyl-4-hydroxypiperidin-4-yl)benzonitrile
CID 121450261
3-[(3aR,5R,7aR)-1,3,3,5,7-pentamethyl-4,6,7,7a-tetrahydro-3aH-2,1-benzoxazol-5-yl]benzonitrile
CID 175831076
1-(4-ethylidene-1-methylcyclohexyl)-3-ethynylbenzene
CID 143958247
ethane;3-fluorobenzonitrile
CID 143604554
3-[1-(2-hydroxy-2-methylcyclohexyl)-2,6-dimethyl-2-pyridinyl]benzonitrile
CID 175407353

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)benzonitrile?
The IUPAC name of 3-(1-methylcyclopentyl)benzonitrile (CID 23371913) is 3-(1-methylcyclopentyl)benzonitrile.
What is the SMILES notation for 3-(1-methylcyclopentyl)benzonitrile?
The canonical SMILES for 3-(1-methylcyclopentyl)benzonitrile is CC1(c2cccc(C#N)c2)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)benzonitrile?
The InChIKey is UJXVGZCKGRMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 3-(1-methylcyclopentyl)benzonitrile?
3-(1-methylcyclopentyl)benzonitrile has a molecular weight of 185.27 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)benzonitrile is sourced from PubChem (CID 23371913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).