2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile

C9H15NO — CID 79119305

IUPAC2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile
SMILESCCC1CCC(O)(CC#N)C1
InChIInChI=1S/C9H15NO/c1-2-8-3-4-9(11,7-8)5-6-10/h8,11H,2-5,7H2,1H3
InChIKeyOYOKUEWKGNWGCJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.84
Rot. Bonds2

About 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile

2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile (PubChem CID 79119305) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile
PubChem CID79119305
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile
SMILESCCC1CCC(O)(CC#N)C1
InChIInChI=1S/C9H15NO/c1-2-8-3-4-9(11,7-8)5-6-10/h8,11H,2-5,7H2,1H3
InChIKeyOYOKUEWKGNWGCJ-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
CID 130514258
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
CID 130559183
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654
2-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)acetonitrile
CID 171953045
2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
CID 106824751
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
CID 79130260

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile?
The IUPAC name of 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile (CID 79119305) is 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile is CCC1CCC(O)(CC#N)C1.
What is the InChIKey of 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile?
The InChIKey is OYOKUEWKGNWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8-3-4-9(11,7-8)5-6-10/h8,11H,2-5,7H2,1H3.
What are the key properties of 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile?
2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-hydroxycyclopentyl)acetonitrile is sourced from PubChem (CID 79119305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).