3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile

C14H18N2O — CID 79137293

IUPAC3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(O)c2ccncc2)C1
InChIInChI=1S/C14H18N2O/c1-2-11-3-6-14(9-11,10-15)13(17)12-4-7-16-8-5-12/h4-5,7-8,11,13,17H,2-3,6,9H2,1H3
InChIKeyLCVLETZVGXHBHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.84
Rot. Bonds3

About 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile

3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile (PubChem CID 79137293) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile
PubChem CID79137293
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(O)c2ccncc2)C1
InChIInChI=1S/C14H18N2O/c1-2-11-3-6-14(9-11,10-15)13(17)12-4-7-16-8-5-12/h4-5,7-8,11,13,17H,2-3,6,9H2,1H3
InChIKeyLCVLETZVGXHBHZ-UHFFFAOYSA-N
XLogP2.84
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[hydroxy-(4-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 79137420
3-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclopentane-1-carbonitrile
CID 79136468
3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
CID 79136524
3-ethyl-1-[hydroxy-[3-(methoxymethyl)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79127886
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
3-ethyl-1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carbonitrile
CID 104772068
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
1-[1-benzothiophen-3-yl(hydroxy)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136460
1-[(5-bromothiophen-3-yl)-hydroxymethyl]-3-ethylcyclohexane-1-carbonitrile
CID 112739876
1-[(4-bromophenyl)-hydroxymethyl]-4-propylcyclohexane-1-carbonitrile
CID 79136386
1-[(3-bromo-4-fluorophenyl)-hydroxymethyl]-3-ethylcyclohexane-1-carbonitrile
CID 79136893
1-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-ethylcyclohexane-1-carbonitrile
CID 79124726

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile (CID 79137293) is 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(O)c2ccncc2)C1.
What is the InChIKey of 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is LCVLETZVGXHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-11-3-6-14(9-11,10-15)13(17)12-4-7-16-8-5-12/h4-5,7-8,11,13,17H,2-3,6,9H2,1H3.
What are the key properties of 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile?
3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79137293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).