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

C13H23NO — CID 79131475

IUPAC3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
SMILESCCCCC(O)C1(C#N)CCC(CC)C1
InChIInChI=1S/C13H23NO/c1-3-5-6-12(15)13(10-14)8-7-11(4-2)9-13/h11-12,15H,3-9H2,1-2H3
InChIKeyURCCISSZVFAYIK-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.26
Rot. Bonds5

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

3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile (PubChem CID 79131475) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
PubChem CID79131475
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
SMILESCCCCC(O)C1(C#N)CCC(CC)C1
InChIInChI=1S/C13H23NO/c1-3-5-6-12(15)13(10-14)8-7-11(4-2)9-13/h11-12,15H,3-9H2,1-2H3
InChIKeyURCCISSZVFAYIK-UHFFFAOYSA-N
XLogP3.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
CID 79132042
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
CID 79136524
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
1-(1-hydroxyheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132594
3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile
CID 79137293
3-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclopentane-1-carbonitrile
CID 79136468
1-[cyclohexyl(hydroxy)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 79137432
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
3-ethyl-1-[hydroxy-[3-(methoxymethyl)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79127886
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile (CID 79131475) is 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile is CCCCC(O)C1(C#N)CCC(CC)C1.
What is the InChIKey of 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile?
The InChIKey is URCCISSZVFAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-12(15)13(10-14)8-7-11(4-2)9-13/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile?
3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile has a molecular weight of 209.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79131475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).