(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one

C12H15N3O2 — CID 137278520

IUPAC(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
SMILESCC(=O)C(=N\O)/C(C)=N\Nc1ccc(C)cc1
InChIInChI=1S/C12H15N3O2/c1-8-4-6-11(7-5-8)14-13-9(2)12(15-17)10(3)16/h4-7,14,17H,1-3H3/b13-9-,15-12-
InChIKeyPCQHKQPPCKLTTO-PPJUFCOVSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds4

About (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one

(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one (PubChem CID 137278520) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one.

Molecular Properties

Compound Name(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
PubChem CID137278520
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
SMILESCC(=O)C(=N\O)/C(C)=N\Nc1ccc(C)cc1
InChIInChI=1S/C12H15N3O2/c1-8-4-6-11(7-5-8)14-13-9(2)12(15-17)10(3)16/h4-7,14,17H,1-3H3/b13-9-,15-12-
InChIKeyPCQHKQPPCKLTTO-PPJUFCOVSA-N
XLogP2.20
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
CID 136658152
methyl 3-[(4-methylphenyl)hydrazinylidene]-2-oxobutanoate
CID 88827249
(3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-(4-methylphenyl)iminopentan-2-one
CID 5466429
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
(2E)-2-[(4-methylphenyl)hydrazinylidene]-3-oxo-N-phenylbutanethioamide
CID 5397931
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
CID 156507863
N-(4-methylphenyl)acetamide
CID 7684
(2E,3Z)-2-hydroxyimino-3-[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]-N-phenylbutanamide
CID 136882590

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one?
The IUPAC name of (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one (CID 137278520) is (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one.
What is the SMILES notation for (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one?
The canonical SMILES for (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one is CC(=O)C(=N\O)/C(C)=N\Nc1ccc(C)cc1.
What is the InChIKey of (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one?
The InChIKey is PCQHKQPPCKLTTO-PPJUFCOVSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-4-6-11(7-5-8)14-13-9(2)12(15-17)10(3)16/h4-7,14,17H,1-3H3/b13-9-,15-12-.
What are the key properties of (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one?
(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one is sourced from PubChem (CID 137278520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).