(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one

C15H12N2O — CID 10776192

IUPAC(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cccnn2)CCc2ccccc21
InChIInChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
InChIKeyQPJAJZLWZJXVSQ-ZRDIBKRKSA-N
MW236.27 g/mol
LogP2.69
Rot. Bonds1

About (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 10776192) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID10776192
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cccnn2)CCc2ccccc21
InChIInChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
InChIKeyQPJAJZLWZJXVSQ-ZRDIBKRKSA-N
XLogP2.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 6159604
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
(2E)-2-[(3,5-dibromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 163907659
(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 5378199
2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
CID 2732714
(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6925418
4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzene-1,3-disulfonate
CID 3728187
(2E)-2-[(2,5-difluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47241323
2-[(2,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 711408
(2E)-2-[(5-nitrothiophen-3-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47286347
benzaldehyde;(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one;3,4-dihydro-2H-naphthalen-1-one
CID 158089765
(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 67620772

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 10776192) is (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2cccnn2)CCc2ccccc21.
What is the InChIKey of (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is QPJAJZLWZJXVSQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+.
What are the key properties of (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 236.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10776192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).