(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile

C8H11NO — CID 10953578

IUPAC(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1=CCCCC1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h4,8,10H,1-3,5H2/t8-/m0/s1
InChIKeyPHNZYJIJCBMXSX-QMMMGPOBSA-N
MW137.18 g/mol
LogP1.37
Rot. Bonds1

About (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile

(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile (PubChem CID 10953578) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile
PubChem CID10953578
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1=CCCCC1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h4,8,10H,1-3,5H2/t8-/m0/s1
InChIKeyPHNZYJIJCBMXSX-QMMMGPOBSA-N
XLogP1.37
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile?
The IUPAC name of (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile (CID 10953578) is (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile.
What is the SMILES notation for (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile?
The canonical SMILES for (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile is N#C[C@H](O)C1=CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile?
The InChIKey is PHNZYJIJCBMXSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h4,8,10H,1-3,5H2/t8-/m0/s1.
What are the key properties of (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile?
(2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexen-1-yl)-2-hydroxyacetonitrile is sourced from PubChem (CID 10953578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).