(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one

C11H12ClN3O — CID 101027976

IUPAC(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one
SMILES[H]/N=C(C)/C(=N/Nc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C11H12ClN3O/c1-7(13)11(8(2)16)15-14-10-5-3-9(12)4-6-10/h3-6,13-14H,1-2H3/b13-7+,15-11-
InChIKeyLGDMZCZQZGOXNV-SGLMTQOWSA-N
MW237.69 g/mol
LogP2.74
Rot. Bonds4

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

(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one (PubChem CID 101027976) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one
PubChem CID101027976
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one
SMILES[H]/N=C(C)/C(=N/Nc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C11H12ClN3O/c1-7(13)11(8(2)16)15-14-10-5-3-9(12)4-6-10/h3-6,13-14H,1-2H3/b13-7+,15-11-
InChIKeyLGDMZCZQZGOXNV-SGLMTQOWSA-N
XLogP2.74
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-(4-methylphenyl)iminopentan-2-one
CID 5466429
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
ethyl 2-[(4-bromophenyl)hydrazinylidene]-3-iminobutanoate
CID 6825854
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
ethyl (1Z)-N-(4-chloroanilino)-2-oxopropanimidothioate
CID 51413538
5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8825843
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
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one (CID 101027976) is (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one is [H]/N=C(C)/C(=N/Nc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one?
The InChIKey is LGDMZCZQZGOXNV-SGLMTQOWSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7(13)11(8(2)16)15-14-10-5-3-9(12)4-6-10/h3-6,13-14H,1-2H3/b13-7+,15-11-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one?
(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]-4-iminopentan-2-one is sourced from PubChem (CID 101027976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).