2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile

C11H19NO — CID 79862592

IUPAC2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-9(2)6-5-7-11(9,13)10(3,4)8-12/h13H,5-7H2,1-4H3
InChIKeyWBAINPUWYLNALG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.48
Rot. Bonds1

About 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile

2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile (PubChem CID 79862592) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile
PubChem CID79862592
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-9(2)6-5-7-11(9,13)10(3,4)8-12/h13H,5-7H2,1-4H3
InChIKeyWBAINPUWYLNALG-UHFFFAOYSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Hydroxycyclohexyl)-2-methylpropanenitrile
CID 12468656
1-Hydroxy-2,2,5-trimethylcyclopentanecarbonitrile
CID 89600898
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-(3-Hydroxy-1,2,2-trimethylcyclopentyl)acetonitrile
CID 130143576
2-Ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
1-(6,6,6-Trifluoro-2-hydroxyhexan-2-yl)cyclopentane-1-carbonitrile
CID 116536364
5-Cyclopentyl-5-hydroxyhexanenitrile
CID 18433865
Cyclopentanecarbonitrile, 1-hydroxy-2-isopropyl-
CID 45095912
2-Ethyl-1-hydroxycyclopentane-1-carbonitrile
CID 71412515
6-Hydroxy-2,2,6-trimethylundecanenitrile
CID 89123985
(1S,2S,3R)-3-hydroxy-1,2,3-trimethylcyclopentane-1-carbonitrile
CID 16742487

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile (CID 79862592) is 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile is CC(C)(C#N)C1(O)CCCC1(C)C.
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile?
The InChIKey is WBAINPUWYLNALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)6-5-7-11(9,13)10(3,4)8-12/h13H,5-7H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile?
2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile is sourced from PubChem (CID 79862592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).