2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile

C11H17N — CID 134250090

IUPAC2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile
SMILESC=CC[C@H]1CCC(C(C)C#N)C1
InChIInChI=1S/C11H17N/c1-3-4-10-5-6-11(7-10)9(2)8-12/h3,9-11H,1,4-7H2,2H3/t9?,10-,11?/m0/s1
InChIKeyJXTKIBOIXQATHC-YVNMAJEFSA-N
MW163.26 g/mol
LogP3.14
Rot. Bonds3

About 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile

2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile (PubChem CID 134250090) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile.

Molecular Properties

Compound Name2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile
PubChem CID134250090
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile
SMILESC=CC[C@H]1CCC(C(C)C#N)C1
InChIInChI=1S/C11H17N/c1-3-4-10-5-6-11(7-10)9(2)8-12/h3,9-11H,1,4-7H2,2H3/t9?,10-,11?/m0/s1
InChIKeyJXTKIBOIXQATHC-YVNMAJEFSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile
CID 159746869
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1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 163474463
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
1-(3-ethylcyclopentyl)but-3-en-1-ol
CID 65409759
2-bromopropylcyclopropane
CID 67125934
1-bromo-3-prop-2-enylcyclohexane
CID 64508046
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
carbonic acid;prop-2-enylcyclopropane
CID 67833665
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile?
The IUPAC name of 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile (CID 134250090) is 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile.
What is the SMILES notation for 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile?
The canonical SMILES for 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile is C=CC[C@H]1CCC(C(C)C#N)C1.
What is the InChIKey of 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile?
The InChIKey is JXTKIBOIXQATHC-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-10-5-6-11(7-10)9(2)8-12/h3,9-11H,1,4-7H2,2H3/t9?,10-,11?/m0/s1.
What are the key properties of 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile?
2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile is sourced from PubChem (CID 134250090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).