(3R)-3-ethylcyclopentane-1-carbonitrile

C8H13N — CID 178017257

IUPAC(3R)-3-ethylcyclopentane-1-carbonitrile
SMILESCC[C@@H]1CCC(C#N)C1
InChIInChI=1S/C8H13N/c1-2-7-3-4-8(5-7)6-9/h7-8H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyVIELWTVBFWPBAL-GVHYBUMESA-N
MW123.20 g/mol
LogP2.34
Rot. Bonds1

About (3R)-3-ethylcyclopentane-1-carbonitrile

(3R)-3-ethylcyclopentane-1-carbonitrile (PubChem CID 178017257) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3R)-3-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(3R)-3-ethylcyclopentane-1-carbonitrile
PubChem CID178017257
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3R)-3-ethylcyclopentane-1-carbonitrile
SMILESCC[C@@H]1CCC(C#N)C1
InChIInChI=1S/C8H13N/c1-2-7-3-4-8(5-7)6-9/h7-8H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyVIELWTVBFWPBAL-GVHYBUMESA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-ethylcyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 54020010
1-ethyl-3-ethynylcyclopentane
CID 143708095
1,3-diethylcyclopentane
CID 530396
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 18603491
4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
CID 171503832
4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 67806013
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
3-(diethylamino)cyclopentane-1-carbonitrile
CID 66607026
4-ethylpiperidine-2-carbonitrile
CID 56972748
ethane;trans-(1S,3S)-3-methylcyclopentane-1-carbonitrile
CID 167444933
3-aminocyclopentane-1-carbonitrile;hydrobromide
CID 134819024

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylcyclopentane-1-carbonitrile?
The IUPAC name of (3R)-3-ethylcyclopentane-1-carbonitrile (CID 178017257) is (3R)-3-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for (3R)-3-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for (3R)-3-ethylcyclopentane-1-carbonitrile is CC[C@@H]1CCC(C#N)C1.
What is the InChIKey of (3R)-3-ethylcyclopentane-1-carbonitrile?
The InChIKey is VIELWTVBFWPBAL-GVHYBUMESA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-3-4-8(5-7)6-9/h7-8H,2-5H2,1H3/t7-,8?/m1/s1.
What are the key properties of (3R)-3-ethylcyclopentane-1-carbonitrile?
(3R)-3-ethylcyclopentane-1-carbonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 178017257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).