3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile

C13H21NO — CID 79129441

IUPAC3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCC2)C1
InChIInChI=1S/C13H21NO/c1-2-11-5-8-12(9-11,10-14)13(15)6-3-4-7-13/h11,15H,2-9H2,1H3
InChIKeyOJKCHCKOXAGRHH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.01
Rot. Bonds2

About 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile

3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile (PubChem CID 79129441) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
PubChem CID79129441
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCC2)C1
InChIInChI=1S/C13H21NO/c1-2-11-5-8-12(9-11,10-14)13(15)6-3-4-7-13/h11,15H,2-9H2,1H3
InChIKeyOJKCHCKOXAGRHH-UHFFFAOYSA-N
XLogP3.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
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-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
CID 79130260
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
CID 81468574

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile (CID 79129441) is 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCCC2)C1.
What is the InChIKey of 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile?
The InChIKey is OJKCHCKOXAGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11-5-8-12(9-11,10-14)13(15)6-3-4-7-13/h11,15H,2-9H2,1H3.
What are the key properties of 3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile?
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 3.01, 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-hydroxycyclopentyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79129441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).