3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile

C10H15N — CID 130917935

IUPAC3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CC1=CCCC1
InChIInChI=1S/C10H15N/c1-10(2,8-11)7-9-5-3-4-6-9/h5H,3-4,6-7H2,1-2H3
InChIKeyPDEMWMNWHQPKHF-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.04
Rot. Bonds2

About 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile

3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile (PubChem CID 130917935) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
PubChem CID130917935
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CC1=CCCC1
InChIInChI=1S/C10H15N/c1-10(2,8-11)7-9-5-3-4-6-9/h5H,3-4,6-7H2,1-2H3
InChIKeyPDEMWMNWHQPKHF-UHFFFAOYSA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.04
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

5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
CID 106174040
1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
CID 141055427
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
CID 130840952
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
1-(2-methoxypropan-2-yloxymethyl)cyclopentene
CID 66827692
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-buta-2,3-dienylcyclopentene
CID 57298575
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
3-(3,5-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 65379308
2-cyano-N-[2-(cyclopenten-1-yl)ethyl]-2-propylpentanamide
CID 106173529
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile (CID 130917935) is 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile is CC(C)(C#N)CC1=CCCC1.
What is the InChIKey of 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile?
The InChIKey is PDEMWMNWHQPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2,8-11)7-9-5-3-4-6-9/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile?
3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 130917935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).