3-(phenylhydrazinylidene)pentan-2-one

C11H14N2O — CID 23263615

IUPAC3-(phenylhydrazinylidene)pentan-2-one
SMILESCCC(=NNc1ccccc1)C(C)=O
InChIInChI=1S/C11H14N2O/c1-3-11(9(2)14)13-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3
InChIKeyIJOZEAFCANNWQW-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.45
Rot. Bonds4

About 3-(phenylhydrazinylidene)pentan-2-one

3-(phenylhydrazinylidene)pentan-2-one (PubChem CID 23263615) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(phenylhydrazinylidene)pentan-2-one.

Molecular Properties

Compound Name3-(phenylhydrazinylidene)pentan-2-one
PubChem CID23263615
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(phenylhydrazinylidene)pentan-2-one
SMILESCCC(=NNc1ccccc1)C(C)=O
InChIInChI=1S/C11H14N2O/c1-3-11(9(2)14)13-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3
InChIKeyIJOZEAFCANNWQW-UHFFFAOYSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.45
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

(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
CID 6392506
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
N'-anilino-2-oxopropanimidamide
CID 6340113
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
2-(phenylhydrazinylidene)hexanoate
CID 57359440
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
CID 131710018
N-anilino-2-oxopropanimidoyl cyanide
CID 830615
(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
CID 11277499
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527

Frequently Asked Questions

What is the IUPAC name of 3-(phenylhydrazinylidene)pentan-2-one?
The IUPAC name of 3-(phenylhydrazinylidene)pentan-2-one (CID 23263615) is 3-(phenylhydrazinylidene)pentan-2-one.
What is the SMILES notation for 3-(phenylhydrazinylidene)pentan-2-one?
The canonical SMILES for 3-(phenylhydrazinylidene)pentan-2-one is CCC(=NNc1ccccc1)C(C)=O.
What is the InChIKey of 3-(phenylhydrazinylidene)pentan-2-one?
The InChIKey is IJOZEAFCANNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(9(2)14)13-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3.
What are the key properties of 3-(phenylhydrazinylidene)pentan-2-one?
3-(phenylhydrazinylidene)pentan-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylhydrazinylidene)pentan-2-one is sourced from PubChem (CID 23263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).