3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile

C16H15N3O — CID 71438096

IUPAC3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile
SMILESCOc1cc(NN)ccc1C=C(C#N)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-20-16-10-15(19-18)8-7-13(16)9-14(11-17)12-5-3-2-4-6-12/h2-10,19H,18H2,1H3
InChIKeySSEOALGGHJGBIW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile

3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile (PubChem CID 71438096) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile
PubChem CID71438096
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile
SMILESCOc1cc(NN)ccc1C=C(C#N)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-20-16-10-15(19-18)8-7-13(16)9-14(11-17)12-5-3-2-4-6-12/h2-10,19H,18H2,1H3
InChIKeySSEOALGGHJGBIW-UHFFFAOYSA-N
XLogP3.04
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-phenylprop-2-enenitrile
CID 3156653
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
3-(2-bromo-4,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
CID 2865718
(E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 1082604
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
2-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 2992626
2-(4-bromophenyl)-3-[4-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethoxyphenyl]prop-2-enenitrile
CID 118471873
3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
CID 2243607
(Z)-3-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenyl)prop-2-enenitrile
CID 912086
(E)-2-(3-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 126397411

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile (CID 71438096) is 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile is COc1cc(NN)ccc1C=C(C#N)c1ccccc1.
What is the InChIKey of 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile?
The InChIKey is SSEOALGGHJGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-10-15(19-18)8-7-13(16)9-14(11-17)12-5-3-2-4-6-12/h2-10,19H,18H2,1H3.
What are the key properties of 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile?
3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile has a molecular weight of 265.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 71438096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).