(2R)-2-hydroxy-2-methylbutanenitrile

C5H9NO — CID 12650900

IUPAC(2R)-2-hydroxy-2-methylbutanenitrile
SMILESCC[C@@](C)(O)C#N
InChIInChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1
InChIKeyVMEHOTODTPXCKT-RXMQYKEDSA-N
MW99.13 g/mol
LogP0.67
Rot. Bonds1

About (2R)-2-hydroxy-2-methylbutanenitrile

(2R)-2-hydroxy-2-methylbutanenitrile (PubChem CID 12650900) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-methylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-methylbutanenitrile
PubChem CID12650900
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(2R)-2-hydroxy-2-methylbutanenitrile
SMILESCC[C@@](C)(O)C#N
InChIInChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1
InChIKeyVMEHOTODTPXCKT-RXMQYKEDSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-methylbutanenitrile?
The IUPAC name of (2R)-2-hydroxy-2-methylbutanenitrile (CID 12650900) is (2R)-2-hydroxy-2-methylbutanenitrile.
What is the SMILES notation for (2R)-2-hydroxy-2-methylbutanenitrile?
The canonical SMILES for (2R)-2-hydroxy-2-methylbutanenitrile is CC[C@@](C)(O)C#N.
What is the InChIKey of (2R)-2-hydroxy-2-methylbutanenitrile?
The InChIKey is VMEHOTODTPXCKT-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-methylbutanenitrile?
(2R)-2-hydroxy-2-methylbutanenitrile has a molecular weight of 99.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-methylbutanenitrile is sourced from PubChem (CID 12650900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).