4-(4-hydroxyiminobut-1-enyl)benzonitrile

C11H10N2O — CID 174511420

IUPAC4-(4-hydroxyiminobut-1-enyl)benzonitrile
SMILESN#Cc1ccc(C=CCC=NO)cc1
InChIInChI=1S/C11H10N2O/c12-9-11-6-4-10(5-7-11)3-1-2-8-13-14/h1,3-8,14H,2H2
InChIKeyTVTIBQOUBDZYDL-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-hydroxyiminobut-1-enyl)benzonitrile

4-(4-hydroxyiminobut-1-enyl)benzonitrile (PubChem CID 174511420) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(4-hydroxyiminobut-1-enyl)benzonitrile.

Molecular Properties

Compound Name4-(4-hydroxyiminobut-1-enyl)benzonitrile
PubChem CID174511420
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(4-hydroxyiminobut-1-enyl)benzonitrile
SMILESN#Cc1ccc(C=CCC=NO)cc1
InChIInChI=1S/C11H10N2O/c12-9-11-6-4-10(5-7-11)3-1-2-8-13-14/h1,3-8,14H,2H2
InChIKeyTVTIBQOUBDZYDL-UHFFFAOYSA-N
XLogP2.42
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-hydroxyiminobut-1-enyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
CID 150509370
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
4-[(E)-5-cyanopent-1-enyl]benzonitrile
CID 162402483
6-(4-cyanophenyl)hex-5-enoic acid
CID 54023642
S-[3-(4-cyanophenyl)prop-2-enyl] ethanethioate
CID 169456909
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235
4-prop-1-enylbenzonitrile
CID 68719840
4-[(Z)-oct-1-enyl]benzonitrile
CID 10632395
S-[4-(4-cyanophenyl)but-3-enyl] ethanethioate
CID 170479815
(E)-8-(4-cyanophenyl)oct-7-enoic acid
CID 70068307
4-[(E)-3-[[(2S)-1-hydroxypropan-2-yl]amino]prop-1-enyl]benzonitrile
CID 103864292

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyiminobut-1-enyl)benzonitrile?
The IUPAC name of 4-(4-hydroxyiminobut-1-enyl)benzonitrile (CID 174511420) is 4-(4-hydroxyiminobut-1-enyl)benzonitrile.
What is the SMILES notation for 4-(4-hydroxyiminobut-1-enyl)benzonitrile?
The canonical SMILES for 4-(4-hydroxyiminobut-1-enyl)benzonitrile is N#Cc1ccc(C=CCC=NO)cc1.
What is the InChIKey of 4-(4-hydroxyiminobut-1-enyl)benzonitrile?
The InChIKey is TVTIBQOUBDZYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-9-11-6-4-10(5-7-11)3-1-2-8-13-14/h1,3-8,14H,2H2.
What are the key properties of 4-(4-hydroxyiminobut-1-enyl)benzonitrile?
4-(4-hydroxyiminobut-1-enyl)benzonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyiminobut-1-enyl)benzonitrile is sourced from PubChem (CID 174511420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).