(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one

C12H14N2O — CID 134890996

IUPAC(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one
SMILESCN(C)/N=C/C=C\C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-14(2)13-10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6-,13-10+
InChIKeyPNZHWVNKKQWBKW-OWQKPFLESA-N
MW202.26 g/mol
LogP1.97
Rot. Bonds4

About (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one

(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one (PubChem CID 134890996) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one
PubChem CID134890996
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one
SMILESCN(C)/N=C/C=C\C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-14(2)13-10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6-,13-10+
InChIKeyPNZHWVNKKQWBKW-OWQKPFLESA-N
XLogP1.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one?
The IUPAC name of (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one (CID 134890996) is (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one.
What is the SMILES notation for (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one?
The canonical SMILES for (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one is CN(C)/N=C/C=C\C(=O)c1ccccc1.
What is the InChIKey of (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one?
The InChIKey is PNZHWVNKKQWBKW-OWQKPFLESA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)13-10-6-9-12(15)11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6-,13-10+.
What are the key properties of (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one?
(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one is sourced from PubChem (CID 134890996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).