2-(1-hydroxyprop-2-enyl)benzonitrile

C10H9NO — CID 86092057

IUPAC2-(1-hydroxyprop-2-enyl)benzonitrile
SMILESC=CC(O)c1ccccc1C#N
InChIInChI=1S/C10H9NO/c1-2-10(12)9-6-4-3-5-8(9)7-11/h2-6,10,12H,1H2
InChIKeyLFOLPZXCLKWJJF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.78
Rot. Bonds2

About 2-(1-hydroxyprop-2-enyl)benzonitrile

2-(1-hydroxyprop-2-enyl)benzonitrile (PubChem CID 86092057) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)benzonitrile.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)benzonitrile
PubChem CID86092057
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(1-hydroxyprop-2-enyl)benzonitrile
SMILESC=CC(O)c1ccccc1C#N
InChIInChI=1S/C10H9NO/c1-2-10(12)9-6-4-3-5-8(9)7-11/h2-6,10,12H,1H2
InChIKeyLFOLPZXCLKWJJF-UHFFFAOYSA-N
XLogP1.78
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
1-[2-(3-phenylprop-1-ynyl)phenyl]prop-2-en-1-ol
CID 11391000
(1R)-1-(2-methylphenyl)prop-2-en-1-ol
CID 102103795
2-(difluoromethyl)benzonitrile
CID 57421356
2-[(1R)-1-aminobut-3-enyl]benzonitrile;hydrochloride
CID 171202045
2-(1-amino-2-hydroxypropyl)benzonitrile
CID 55294755
benzene-1,2-dicarbonitrile;prop-2-enenitrile
CID 175057961
ethane;bis(2-propan-2-ylbenzonitrile)
CID 67297775
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325
2-(3-chloro-1,2-dihydroxypropyl)benzonitrile
CID 171861777

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-enyl)benzonitrile?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)benzonitrile (CID 86092057) is 2-(1-hydroxyprop-2-enyl)benzonitrile.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)benzonitrile?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)benzonitrile is C=CC(O)c1ccccc1C#N.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)benzonitrile?
The InChIKey is LFOLPZXCLKWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-10(12)9-6-4-3-5-8(9)7-11/h2-6,10,12H,1H2.
What are the key properties of 2-(1-hydroxyprop-2-enyl)benzonitrile?
2-(1-hydroxyprop-2-enyl)benzonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)benzonitrile is sourced from PubChem (CID 86092057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).