1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile

C11H17NO — CID 130599709

IUPAC1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CC2CCC(O)CC2)CC1
InChIInChI=1S/C11H17NO/c12-8-11(5-6-11)7-9-1-3-10(13)4-2-9/h9-10,13H,1-7H2
InChIKeyWWUPMPCQFZRQLY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.23
Rot. Bonds2

About 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile

1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 130599709) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile
PubChem CID130599709
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CC2CCC(O)CC2)CC1
InChIInChI=1S/C11H17NO/c12-8-11(5-6-11)7-9-1-3-10(13)4-2-9/h9-10,13H,1-7H2
InChIKeyWWUPMPCQFZRQLY-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-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

(R)-2-Hydroxy-2-cyclohexylacetonitrile
CID 10887989
(S)-2-Hydroxy-2-cyclohexylacetonitrile
CID 10080477
4-Hydroxy-1-methylcyclohexane-1-carbonitrile
CID 21425080
3-Cyclohexyl-3-hydroxypropanenitrile
CID 11789410
3-(2-Hydroxycyclododecyl)propanenitrile
CID 2801467
2-Cyclohexyl-2-hydroxyacetonitrile
CID 11400816
(3R)-3-cyclohexyl-3-hydroxypropanenitrile
CID 11182714
1-(2-Hydroxypropyl)cyclohexanecarbonitrile
CID 12544861
3-[(1R,2S,5S)-2-hydroxy-1-methyl-5-propan-2-ylcyclohexyl]propanenitrile
CID 134992709
1-(3-Fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile
CID 127008566
2-[Cyclohexyl(hydroxy)methyl]hexanenitrile
CID 316595
3-Cyclohexyl-2-hydroxypropanenitrile
CID 11423701

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile (CID 130599709) is 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile is N#CC1(CC2CCC(O)CC2)CC1.
What is the InChIKey of 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is WWUPMPCQFZRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-11(5-6-11)7-9-1-3-10(13)4-2-9/h9-10,13H,1-7H2.
What are the key properties of 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile?
1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 179.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130599709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).