1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene

C11H14N2O — CID 91019027

IUPAC1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene
SMILESC=C.Cc1nn(C)c(=O)c2c1CC=C2
InChIInChI=1S/C9H10N2O.C2H4/c1-6-7-4-3-5-8(7)9(12)11(2)10-6;1-2/h3,5H,4H2,1-2H3;1-2H2
InChIKeyIUMHQPVJMJEPSO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.46
Rot. Bonds

About 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene

1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene (PubChem CID 91019027) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene.

Molecular Properties

Compound Name1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene
PubChem CID91019027
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene
SMILESC=C.Cc1nn(C)c(=O)c2c1CC=C2
InChIInChI=1S/C9H10N2O.C2H4/c1-6-7-4-3-5-8(7)9(12)11(2)10-6;1-2/h3,5H,4H2,1-2H3;1-2H2
InChIKeyIUMHQPVJMJEPSO-UHFFFAOYSA-N
XLogP1.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3(2H)-cinnolinone
CID 368585
4-Cyclohexa-2,5-dien-1-ylidene-5-methyl-2-propan-2-ylpyrazol-3-one
CID 23534330
2,5-Dimethyl-4-prop-2-enylidenepyrazol-3-one;yttrium
CID 59872787
(4Z)-2,5-dimethyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 59887935
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
CID 90932152
CID 91513082
CID 91513082
2-(propan-2-yl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126857410
2,4-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 139522047
2,4-Dimethyl-5,6-dihydrophthalazin-1-one
CID 147363280
2,4-Dimethyl-6-propylpyridazin-3-one
CID 155699983
2,5-dimethyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 158434743
2,4-Dimethyl-5,8-dihydrophthalazin-1-one
CID 163863343

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene?
The IUPAC name of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene (CID 91019027) is 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene.
What is the SMILES notation for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene?
The canonical SMILES for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene is C=C.Cc1nn(C)c(=O)c2c1CC=C2.
What is the InChIKey of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene?
The InChIKey is IUMHQPVJMJEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H4/c1-6-7-4-3-5-8(7)9(12)11(2)10-6;1-2/h3,5H,4H2,1-2H3;1-2H2.
What are the key properties of 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene?
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene has a molecular weight of 190.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene is sourced from PubChem (CID 91019027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).