1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile

C11H17N — CID 130514258

IUPAC1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2CC2)C1
InChIInChI=1S/C11H17N/c1-2-9-5-6-11(7-9,8-12)10-3-4-10/h9-10H,2-7H2,1H3
InChIKeyOAMCOYAAWGKJID-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.12
Rot. Bonds2

About 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile

1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile (PubChem CID 130514258) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
PubChem CID130514258
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2CC2)C1
InChIInChI=1S/C11H17N/c1-2-9-5-6-11(7-9,8-12)10-3-4-10/h9-10H,2-7H2,1H3
InChIKeyOAMCOYAAWGKJID-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
CID 130513676
2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbonitrile
CID 23311884
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethylcyclohexane-1-carbonitrile
CID 18643364
3-ethyl-1-(3-methylcyclohexyl)cyclohexane-1-carbonitrile
CID 114277439
6-butyl-2-pentyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbonitrile
CID 23311906
1-(4-pentylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 18596656
1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
CID 130559183
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile
CID 79119305
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile (CID 130514258) is 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile is CCC1CCC(C#N)(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile?
The InChIKey is OAMCOYAAWGKJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-9-5-6-11(7-9,8-12)10-3-4-10/h9-10H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile?
1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile has a molecular weight of 163.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 130514258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).