(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one

C10H12N2O — CID 170093340

IUPAC(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one
SMILESC=C(C)/C=c1\c(=C)cnn(C)c1=O
InChIInChI=1S/C10H12N2O/c1-7(2)5-9-8(3)6-11-12(4)10(9)13/h5-6H,1,3H2,2,4H3/b9-5+
InChIKeyNVBWUDOWIGQBNE-WEVVVXLNSA-N
MW176.22 g/mol
LogP-0.45
Rot. Bonds1

About (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one

(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one (PubChem CID 170093340) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one.

Molecular Properties

Compound Name(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one
PubChem CID170093340
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one
SMILESC=C(C)/C=c1\c(=C)cnn(C)c1=O
InChIInChI=1S/C10H12N2O/c1-7(2)5-9-8(3)6-11-12(4)10(9)13/h5-6H,1,3H2,2,4H3/b9-5+
InChIKeyNVBWUDOWIGQBNE-WEVVVXLNSA-N
XLogP-0.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one?
The IUPAC name of (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one (CID 170093340) is (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one.
What is the SMILES notation for (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one?
The canonical SMILES for (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one is C=C(C)/C=c1\c(=C)cnn(C)c1=O.
What is the InChIKey of (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one?
The InChIKey is NVBWUDOWIGQBNE-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)5-9-8(3)6-11-12(4)10(9)13/h5-6H,1,3H2,2,4H3/b9-5+.
What are the key properties of (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one?
(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one has a molecular weight of 176.22 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyridazin-3-one is sourced from PubChem (CID 170093340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).