3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile

C15H25NO — CID 79130260

IUPAC3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCCC2C)C1
InChIInChI=1S/C15H25NO/c1-3-13-7-9-14(10-13,11-16)15(17)8-5-4-6-12(15)2/h12-13,17H,3-10H2,1-2H3
InChIKeyTYTBFKJLVRUIIO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.65
Rot. Bonds2

About 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile

3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile (PubChem CID 79130260) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
PubChem CID79130260
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCCC2C)C1
InChIInChI=1S/C15H25NO/c1-3-13-7-9-14(10-13,11-16)15(17)8-5-4-6-12(15)2/h12-13,17H,3-10H2,1-2H3
InChIKeyTYTBFKJLVRUIIO-UHFFFAOYSA-N
XLogP3.65
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-(2-ethyl-1-hydroxycyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79132964
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
CID 79132877
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile
CID 79116244
1-(1-hydroxy-2,3-dimethylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79131967
4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
CID 81468574
3-ethyl-1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79129710
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile (CID 79130260) is 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCCCC2C)C1.
What is the InChIKey of 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile?
The InChIKey is TYTBFKJLVRUIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-13-7-9-14(10-13,11-16)15(17)8-5-4-6-12(15)2/h12-13,17H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile?
3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).