3-[(1R)-1-hydroxypropyl]benzonitrile

C10H11NO — CID 71419733

IUPAC3-[(1R)-1-hydroxypropyl]benzonitrile
SMILESCC[C@@H](O)c1cccc(C#N)c1
InChIInChI=1S/C10H11NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6,10,12H,2H2,1H3/t10-/m1/s1
InChIKeyJKUICMQUKGWNDE-SNVBAGLBSA-N
MW161.20 g/mol
LogP2.00
Rot. Bonds2

About 3-[(1R)-1-hydroxypropyl]benzonitrile

3-[(1R)-1-hydroxypropyl]benzonitrile (PubChem CID 71419733) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(1R)-1-hydroxypropyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-hydroxypropyl]benzonitrile
PubChem CID71419733
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[(1R)-1-hydroxypropyl]benzonitrile
SMILESCC[C@@H](O)c1cccc(C#N)c1
InChIInChI=1S/C10H11NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6,10,12H,2H2,1H3/t10-/m1/s1
InChIKeyJKUICMQUKGWNDE-SNVBAGLBSA-N
XLogP2.00
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-(3,3,4,4,4-pentafluoro-1-hydroxybutyl)benzonitrile
CID 156765987
3-(5,5,5-trifluoro-1-hydroxypentyl)benzonitrile
CID 115515722
3-[[3-(1-hydroxypropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79104855
3-[2-(ethylamino)-1-hydroxypropyl]benzonitrile
CID 115481101
3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
CID 131098129
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
[2-(3-cyanophenyl)-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 101004424
3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
CID 83173061
3-[(1S,3E,5Z)-1-hydroxypentadeca-3,5-dienyl]benzonitrile
CID 88601549
3-[1-hydroxy-3-(4-methoxyphenyl)propyl]benzonitrile
CID 115481149

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-hydroxypropyl]benzonitrile?
The IUPAC name of 3-[(1R)-1-hydroxypropyl]benzonitrile (CID 71419733) is 3-[(1R)-1-hydroxypropyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-1-hydroxypropyl]benzonitrile?
The canonical SMILES for 3-[(1R)-1-hydroxypropyl]benzonitrile is CC[C@@H](O)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1R)-1-hydroxypropyl]benzonitrile?
The InChIKey is JKUICMQUKGWNDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6,10,12H,2H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-hydroxypropyl]benzonitrile?
3-[(1R)-1-hydroxypropyl]benzonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-hydroxypropyl]benzonitrile is sourced from PubChem (CID 71419733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).