4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile

C10H17N — CID 21336438

IUPAC4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile
SMILESCCC1CC(C)C(C)(C#N)C1
InChIInChI=1S/C10H17N/c1-4-9-5-8(2)10(3,6-9)7-11/h8-9H,4-6H2,1-3H3
InChIKeyDHKCUMCTJAZZKW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds1

About 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile

4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile (PubChem CID 21336438) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile
PubChem CID21336438
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile
SMILESCCC1CC(C)C(C)(C#N)C1
InChIInChI=1S/C10H17N/c1-4-9-5-8(2)10(3,6-9)7-11/h8-9H,4-6H2,1-3H3
InChIKeyDHKCUMCTJAZZKW-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
3,3-Dimethylcyclopentanecarbonitrile
CID 22992861
2-(3-Fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
CID 15459077
2-[(1R,3S)-3-fluoro-2,2,3-trimethylcyclopentyl]acetonitrile
CID 177598404
3-Methyl-3-propan-2-ylheptanenitrile
CID 170848821
2-(2-Ethyl-1,2-dimethylcyclopentyl)acetonitrile
CID 129216276
2-(1,2,2-Trimethylcyclopentyl)propanenitrile
CID 129216319
2,2,3-Trimethylnonanenitrile
CID 85931268
2-Cyclopentyl-2-methylpropanedinitrile
CID 101397763
Methylcyclopentyl [1r,2s]-trans-2-methylcyclopentylacetonitrile
CID 129662622
2,5-Bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
CID 134855916
1-(2-Fluoroethyl)-3-methylcyclopentane-1-carbonitrile
CID 130514224

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile?
The IUPAC name of 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile (CID 21336438) is 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile is CCC1CC(C)C(C)(C#N)C1.
What is the InChIKey of 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile?
The InChIKey is DHKCUMCTJAZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9-5-8(2)10(3,6-9)7-11/h8-9H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile?
4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 21336438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).