(2R)-2-benzyl-2-hydroxybutanenitrile

C11H13NO — CID 124564557

IUPAC(2R)-2-benzyl-2-hydroxybutanenitrile
SMILESCC[C@](O)(C#N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13,9-12)8-10-6-4-3-5-7-10/h3-7,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyCYXHENIFINVPIQ-LLVKDONJSA-N
MW175.23 g/mol
LogP1.89
Rot. Bonds3

About (2R)-2-benzyl-2-hydroxybutanenitrile

(2R)-2-benzyl-2-hydroxybutanenitrile (PubChem CID 124564557) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-2-benzyl-2-hydroxybutanenitrile.

Molecular Properties

Compound Name(2R)-2-benzyl-2-hydroxybutanenitrile
PubChem CID124564557
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-benzyl-2-hydroxybutanenitrile
SMILESCC[C@](O)(C#N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13,9-12)8-10-6-4-3-5-7-10/h3-7,13H,2,8H2,1H3/t11-/m1/s1
InChIKeyCYXHENIFINVPIQ-LLVKDONJSA-N
XLogP1.89
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-2-hydroxypropanedinitrile
CID 15525239
2-benzyl-2-methylbutanenitrile
CID 65377862
azane;3-benzylpentan-3-ol
CID 173295411
2-benzyl-2-hydroxybutanoic acid
CID 22013212
2-benzyl-2-(ethylamino)butanenitrile
CID 79008092
2,2-dibenzyl-3-hydroxypropanenitrile
CID 15566621
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
2,2-difluoro-3-phenylpropanenitrile
CID 83855334
1-phenylpentane-2,2-diol
CID 56635388
3-benzyl-3-methyl-4-methylidenehexanenitrile
CID 139524503
2,2-difluorobutylbenzene
CID 12695736
ethylbenzene;oxalonitrile;sulfane
CID 174327250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-2-hydroxybutanenitrile?
The IUPAC name of (2R)-2-benzyl-2-hydroxybutanenitrile (CID 124564557) is (2R)-2-benzyl-2-hydroxybutanenitrile.
What is the SMILES notation for (2R)-2-benzyl-2-hydroxybutanenitrile?
The canonical SMILES for (2R)-2-benzyl-2-hydroxybutanenitrile is CC[C@](O)(C#N)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-2-hydroxybutanenitrile?
The InChIKey is CYXHENIFINVPIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(13,9-12)8-10-6-4-3-5-7-10/h3-7,13H,2,8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-benzyl-2-hydroxybutanenitrile?
(2R)-2-benzyl-2-hydroxybutanenitrile has a molecular weight of 175.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-2-hydroxybutanenitrile is sourced from PubChem (CID 124564557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).