3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile

C10H17NO — CID 89079083

IUPAC3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile
SMILESCC(O)CC1CCC(C)(C#N)C1
InChIInChI=1S/C10H17NO/c1-8(12)5-9-3-4-10(2,6-9)7-11/h8-9,12H,3-6H2,1-2H3
InChIKeyGULGLEOZVMFNBT-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.09
Rot. Bonds2

About 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile

3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile (PubChem CID 89079083) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile
PubChem CID89079083
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile
SMILESCC(O)CC1CCC(C)(C#N)C1
InChIInChI=1S/C10H17NO/c1-8(12)5-9-3-4-10(2,6-9)7-11/h8-9,12H,3-6H2,1-2H3
InChIKeyGULGLEOZVMFNBT-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4,6,6-trimethylheptanenitrile
CID 44786
3-(2-Hydroxycyclododecyl)propanenitrile
CID 2801467
1-(2-Hydroxypropyl)cyclohexanecarbonitrile
CID 12544861
2-[(1R,3S)-3-hydroxy-1,2,2-trimethylcyclopentyl]acetonitrile
CID 101966598
2-[(1S,3S)-3-hydroxy-1,2,2-trimethylcyclopentyl]acetonitrile
CID 101966599
3-(1-Hydroxyethyl)nonanenitrile
CID 123358781
2-(3-Hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile
CID 130143576
(2S)-2-cyclopentyl-5-hydroxyhexanenitrile
CID 138964008
8-Hydroxy-2,2,6-trimethyloctanenitrile
CID 176435215
1-(3-Fluoro-2-hydroxypropyl)-2-methylcyclopentane-1-carbonitrile
CID 130963439
1-(3-Fluoro-2-hydroxypropyl)-3-methylcyclopentane-1-carbonitrile
CID 131139367
(2S,3S)-3-hydroxy-4,4-dimethyl-2-propylpentanenitrile
CID 5479123

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile (CID 89079083) is 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile is CC(O)CC1CCC(C)(C#N)C1.
What is the InChIKey of 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile?
The InChIKey is GULGLEOZVMFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)5-9-3-4-10(2,6-9)7-11/h8-9,12H,3-6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile?
3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 89079083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).