3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile

C12H21NO — CID 130514272

IUPAC3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)C(C)O)C1
InChIInChI=1S/C12H21NO/c1-4-11-5-6-12(7-11,8-13)9(2)10(3)14/h9-11,14H,4-7H2,1-3H3
InChIKeyFSLLJMGTBBTTFX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.72
Rot. Bonds3

About 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile

3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile (PubChem CID 130514272) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
PubChem CID130514272
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)C(C)O)C1
InChIInChI=1S/C12H21NO/c1-4-11-5-6-12(7-11,8-13)9(2)10(3)14/h9-11,14H,4-7H2,1-3H3
InChIKeyFSLLJMGTBBTTFX-UHFFFAOYSA-N
XLogP2.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
CID 79136524
3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
CID 79131475
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-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carbonitrile
CID 104772068
3-ethyl-1-[hydroxy-[3-(methoxymethyl)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79127886
1-[1-benzothiophen-3-yl(hydroxy)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136460
4-ethyl-1-[hydroxy-(4-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 79137420
4-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 79137460
1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
CID 130514258

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile (CID 130514272) is 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(C)C(C)O)C1.
What is the InChIKey of 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is FSLLJMGTBBTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11-5-6-12(7-11,8-13)9(2)10(3)14/h9-11,14H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile?
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).