4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one

C12H15N3O — CID 131885432

IUPAC4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one
SMILESCC(C=CC(=O)c1ccccn1)=NN(C)C
InChIInChI=1S/C12H15N3O/c1-10(14-15(2)3)7-8-12(16)11-6-4-5-9-13-11/h4-9H,1-3H3
InChIKeyAFLAIZIUPYYGRO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.76
Rot. Bonds4

About 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one

4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one (PubChem CID 131885432) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one.

Molecular Properties

Compound Name4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one
PubChem CID131885432
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one
SMILESCC(C=CC(=O)c1ccccn1)=NN(C)C
InChIInChI=1S/C12H15N3O/c1-10(14-15(2)3)7-8-12(16)11-6-4-5-9-13-11/h4-9H,1-3H3
InChIKeyAFLAIZIUPYYGRO-UHFFFAOYSA-N
XLogP1.76
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
(E)-3-(2-methylpropylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 23591196
(E)-3-(3,4-dihydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 137079315
(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
CID 102284803
ethane;pyridine-2-carbonyl fluoride
CID 161184414
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
N-methylpyridine-2-carbohydrazide
CID 45084309
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
(Z)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 51663355

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one?
The IUPAC name of 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one (CID 131885432) is 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one.
What is the SMILES notation for 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one?
The canonical SMILES for 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one is CC(C=CC(=O)c1ccccn1)=NN(C)C.
What is the InChIKey of 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one?
The InChIKey is AFLAIZIUPYYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(14-15(2)3)7-8-12(16)11-6-4-5-9-13-11/h4-9H,1-3H3.
What are the key properties of 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one?
4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one is sourced from PubChem (CID 131885432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).