2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile

C10H17NO — CID 130143576

IUPAC2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile
SMILESCC1(CC#N)CCC(O)C1(C)C
InChIInChI=1S/C10H17NO/c1-9(2)8(12)4-5-10(9,3)6-7-11/h8,12H,4-6H2,1-3H3
InChIKeyQNSCIINJCGRAGS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.09
Rot. Bonds1

About 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile

2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile (PubChem CID 130143576) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile
PubChem CID130143576
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile
SMILESCC1(CC#N)CCC(O)C1(C)C
InChIInChI=1S/C10H17NO/c1-9(2)8(12)4-5-10(9,3)6-7-11/h8,12H,4-6H2,1-3H3
InChIKeyQNSCIINJCGRAGS-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-[(1R,3S)-3-hydroxy-1,2,2-trimethylcyclopentyl]acetonitrile
CID 101966598
2-[(1S,3S)-3-hydroxy-1,2,2-trimethylcyclopentyl]acetonitrile
CID 101966599
2,2,3,3-Tetracyanocyclopentanol
CID 129780906
(2S)-2-cyclopentyl-5-hydroxyhexanenitrile
CID 138964008
1-(3-Fluoro-2-hydroxypropyl)-2-methylcyclopentane-1-carbonitrile
CID 130963439
2-(3-Ethoxy-1,2,2-trimethylcyclopentyl)propanedinitrile
CID 20607778
2-(3-Methoxy-1,2,2-trimethylcyclopentyl)propanedinitrile
CID 20607779
7-(2-Hexyl-5-hydroxycyclopentyl)heptanenitrile
CID 23220309
3-(2,3-Dihydroxycyclopentyl)-4,4-dimethylpentanenitrile
CID 58220984
trans-(1S,3R)-3-[(1S)-1-hydroxypropyl]-2,2,3-trimethylcyclopentane-1-carbonitrile
CID 58520949
3-Hydroxy-2-(2,4,4-tri-methylcyclopentyl)propanenitrile
CID 67064815
cis-(2S,4R)-3-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]-2-heptyl-4-hydroxycyclopentane-1-carbonitrile
CID 67951879

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile (CID 130143576) is 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile is CC1(CC#N)CCC(O)C1(C)C.
What is the InChIKey of 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile?
The InChIKey is QNSCIINJCGRAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)8(12)4-5-10(9,3)6-7-11/h8,12H,4-6H2,1-3H3.
What are the key properties of 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile?
2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile is sourced from PubChem (CID 130143576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).