(3R)-3-benzyl-4-hydroxybutanenitrile

C11H13NO — CID 11126787

IUPAC(3R)-3-benzyl-4-hydroxybutanenitrile
SMILESN#CC[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H13NO/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,11,13H,6,8-9H2/t11-/m0/s1
InChIKeyNIGSRDUGFFGQLW-NSHDSACASA-N
MW175.23 g/mol
LogP1.75
Rot. Bonds4

About (3R)-3-benzyl-4-hydroxybutanenitrile

(3R)-3-benzyl-4-hydroxybutanenitrile (PubChem CID 11126787) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3-benzyl-4-hydroxybutanenitrile.

Molecular Properties

Compound Name(3R)-3-benzyl-4-hydroxybutanenitrile
PubChem CID11126787
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3R)-3-benzyl-4-hydroxybutanenitrile
SMILESN#CC[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H13NO/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,11,13H,6,8-9H2/t11-/m0/s1
InChIKeyNIGSRDUGFFGQLW-NSHDSACASA-N
XLogP1.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-cyanobutanamide;ethane
CID 91312896
3,4-diphenylbutanenitrile
CID 57019380
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
2-benzyl-4,4,4-trifluorobutan-1-ol
CID 121208196
4-benzyl-2-ethylhexane-1,6-diol
CID 141380082
3-benzyl-5-phenanthridin-6-ylpentanenitrile
CID 162417954
(3S)-3-amino-2-benzyl-4-cyanobutanoic acid
CID 70061717
(3S)-3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248079
3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248080
2-benzyloctadecan-1-ol
CID 67814123
(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile
CID 11288187
2-(hydroxymethyl)propane-1,3-diol;phenol
CID 66686681

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-hydroxybutanenitrile?
The IUPAC name of (3R)-3-benzyl-4-hydroxybutanenitrile (CID 11126787) is (3R)-3-benzyl-4-hydroxybutanenitrile.
What is the SMILES notation for (3R)-3-benzyl-4-hydroxybutanenitrile?
The canonical SMILES for (3R)-3-benzyl-4-hydroxybutanenitrile is N#CC[C@H](CO)Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-4-hydroxybutanenitrile?
The InChIKey is NIGSRDUGFFGQLW-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,11,13H,6,8-9H2/t11-/m0/s1.
What are the key properties of (3R)-3-benzyl-4-hydroxybutanenitrile?
(3R)-3-benzyl-4-hydroxybutanenitrile has a molecular weight of 175.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-hydroxybutanenitrile is sourced from PubChem (CID 11126787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).