5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile

C8H11NO — CID 86073632

IUPAC5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile
SMILESCC1(C)CC=C(C#N)C1O
InChIInChI=1S/C8H11NO/c1-8(2)4-3-6(5-9)7(8)10/h3,7,10H,4H2,1-2H3
InChIKeyXWKZQWHRVXLFPU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.23
Rot. Bonds

About 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile

5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile (PubChem CID 86073632) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile
PubChem CID86073632
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile
SMILESCC1(C)CC=C(C#N)C1O
InChIInChI=1S/C8H11NO/c1-8(2)4-3-6(5-9)7(8)10/h3,7,10H,4H2,1-2H3
InChIKeyXWKZQWHRVXLFPU-UHFFFAOYSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-hydroxy-4,4-dimethylcyclopentene-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

5-Hydroxycyclopent-1-ene-1-carbonitrile
CID 11643926
(E,5R)-5-hydroxy-2,7,7-trimethyloct-2-enenitrile
CID 134965547
3-Hydroxy-5,5-dimethyl-2-methylidenehexanenitrile
CID 57708225
3-Hydroxy-4,4-dimethyl-2-methylidenehexanenitrile
CID 89435724
3-Hydroxy-4,4-dimethylcyclopent-1-enecarbonitrile
CID 89924099
(2E)-2-(cyclopropylmethylidene)-3-hydroxy-4,4-dimethylpentanenitrile
CID 138723499
(3S,5S)-5-ethyl-6-hydroxy-3,4,4-trimethylcyclohexene-1-carbonitrile
CID 173853750
(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile
CID 10582972
(2Z)-2-ethylidene-3-hydroxyheptanenitrile
CID 10630710
(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile
CID 10773052
3-Cyclohexene-1-carbonitrile, 2-hydroxy-6,6-dimethyl-
CID 12698265
4-Tert-butyl-3-hydroxycyclohexene-1-carbonitrile
CID 13639783

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile?
The IUPAC name of 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile (CID 86073632) is 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile.
What is the SMILES notation for 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile?
The canonical SMILES for 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile is CC1(C)CC=C(C#N)C1O.
What is the InChIKey of 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile?
The InChIKey is XWKZQWHRVXLFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(2)4-3-6(5-9)7(8)10/h3,7,10H,4H2,1-2H3.
What are the key properties of 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile?
5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile is sourced from PubChem (CID 86073632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).