(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile

C17H16N4O — CID 170147689

IUPAC(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
SMILESCC(=O)c1cccc(-c2cccc(/C(N)=C(\C#N)NN)c2)c1
InChIInChI=1S/C17H16N4O/c1-11(22)12-4-2-5-13(8-12)14-6-3-7-15(9-14)17(19)16(10-18)21-20/h2-9,21H,19-20H2,1H3/b17-16-
InChIKeyRAROJEJSBVJXAH-MSUUIHNZSA-N
MW292.34 g/mol
LogP2.17
Rot. Bonds4

About (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile

(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile (PubChem CID 170147689) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
PubChem CID170147689
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
SMILESCC(=O)c1cccc(-c2cccc(/C(N)=C(\C#N)NN)c2)c1
InChIInChI=1S/C17H16N4O/c1-11(22)12-4-2-5-13(8-12)14-6-3-7-15(9-14)17(19)16(10-18)21-20/h2-9,21H,19-20H2,1H3/b17-16-
InChIKeyRAROJEJSBVJXAH-MSUUIHNZSA-N
XLogP2.17
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile
CID 170147789
(Z)-3-amino-2-hydrazinyl-3-[3-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147683
(Z)-3-amino-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147701
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147754
4-(3-acetylphenyl)benzenediazonium
CID 175218117
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
1-azulen-2-ylethanone
CID 15255141
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170148061
(1E)-N-(3-acetylanilino)-2-amino-2-oxoethanimidoyl cyanide
CID 5392743
1-[3-[2-(methylamino)phenyl]phenyl]ethanone
CID 59454304

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile?
The IUPAC name of (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile (CID 170147689) is (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile is CC(=O)c1cccc(-c2cccc(/C(N)=C(\C#N)NN)c2)c1.
What is the InChIKey of (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile?
The InChIKey is RAROJEJSBVJXAH-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11(22)12-4-2-5-13(8-12)14-6-3-7-15(9-14)17(19)16(10-18)21-20/h2-9,21H,19-20H2,1H3/b17-16-.
What are the key properties of (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile?
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile has a molecular weight of 292.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile is sourced from PubChem (CID 170147689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).