3-[(4-chlorophenyl)hydrazinylidene]butan-2-one

C10H11ClN2O — CID 4562553

IUPAC3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
SMILESCC(=O)C(C)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c1-7(8(2)14)12-13-10-5-3-9(11)4-6-10/h3-6,13H,1-2H3
InChIKeyKOAZNFCSOAOVEQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.72
Rot. Bonds3

About 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one

3-[(4-chlorophenyl)hydrazinylidene]butan-2-one (PubChem CID 4562553) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
PubChem CID4562553
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
SMILESCC(=O)C(C)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c1-7(8(2)14)12-13-10-5-3-9(11)4-6-10/h3-6,13H,1-2H3
InChIKeyKOAZNFCSOAOVEQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one
CID 101027976
ethyl (1Z)-N-(4-chloroanilino)-2-oxopropanimidothioate
CID 51413538
(3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-(4-methylphenyl)iminopentan-2-one
CID 5466429
N'-(4-chloroanilino)-N-methyl-2-oxo-N-phenylpropanimidamide
CID 10040558
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
CID 134858389
5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8825843
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
CID 137278520

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one?
The IUPAC name of 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one (CID 4562553) is 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one is CC(=O)C(C)=NNc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one?
The InChIKey is KOAZNFCSOAOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(8(2)14)12-13-10-5-3-9(11)4-6-10/h3-6,13H,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one?
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)hydrazinylidene]butan-2-one is sourced from PubChem (CID 4562553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).