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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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).