1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol

C10H17NO — CID 145207474

IUPAC1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol
SMILESCC1(C#N)CC=CC1.CCCO
InChIInChI=1S/C7H9N.C3H8O/c1-7(6-8)4-2-3-5-7;1-2-3-4/h2-3H,4-5H2,1H3;4H,2-3H2,1H3
InChIKeyXDGHIOFHAHJGLX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.25
Rot. Bonds1

About 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol

1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol (PubChem CID 145207474) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol.

Molecular Properties

Compound Name1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol
PubChem CID145207474
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol
SMILESCC1(C#N)CC=CC1.CCCO
InChIInChI=1S/C7H9N.C3H8O/c1-7(6-8)4-2-3-5-7;1-2-3-4/h2-3H,4-5H2,1H3;4H,2-3H2,1H3
InChIKeyXDGHIOFHAHJGLX-UHFFFAOYSA-N
XLogP2.25
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol 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

2-(Hydroxymethyl)-5-methyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
CID 138976330
2-(Hydroxymethyl)-2-prop-2-enylpent-4-enenitrile
CID 15566623
(E)-8-hydroxy-7-methylnon-4-enenitrile
CID 89101008
(E,7R,8S)-8-hydroxy-7-methylnon-4-enenitrile
CID 90163674
(Z)-pent-3-en-1-ol;2,2,3-trimethylbutanenitrile
CID 144284926
(E)-7-hydroxy-3,3,6-trimethylhept-5-enenitrile
CID 57327528
1-(Hydroxymethyl)cyclopent-3-ene-1-carbonitrile
CID 168436863

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol?
The IUPAC name of 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol (CID 145207474) is 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol.
What is the SMILES notation for 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol?
The canonical SMILES for 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol is CC1(C#N)CC=CC1.CCCO.
What is the InChIKey of 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol?
The InChIKey is XDGHIOFHAHJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H8O/c1-7(6-8)4-2-3-5-7;1-2-3-4/h2-3H,4-5H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol?
1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopent-3-ene-1-carbonitrile;propan-1-ol is sourced from PubChem (CID 145207474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).