(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one

C15H20N2O — CID 168980231

IUPAC(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one
SMILESC=C(/C=c1/c(C(C)C)n[nH]c(=O)/c1=C/C)C1CC1
InChIInChI=1S/C15H20N2O/c1-5-12-13(8-10(4)11-6-7-11)14(9(2)3)16-17-15(12)18/h5,8-9,11H,4,6-7H2,1-3H3,(H,17,18)/b12-5+,13-8+
InChIKeyKPXHFCNDDIQOCN-MLQRZSMFSA-N
MW244.34 g/mol
LogP1.44
Rot. Bonds3

About (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one

(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 168980231) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID168980231
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one
SMILESC=C(/C=c1/c(C(C)C)n[nH]c(=O)/c1=C/C)C1CC1
InChIInChI=1S/C15H20N2O/c1-5-12-13(8-10(4)11-6-7-11)14(9(2)3)16-17-15(12)18/h5,8-9,11H,4,6-7H2,1-3H3,(H,17,18)/b12-5+,13-8+
InChIKeyKPXHFCNDDIQOCN-MLQRZSMFSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-methyl-1H-pyrazol-5-one
CID 6391620
(4Z)-4-[(E)-4-methylpent-2-enylidene]-3-propyl-1H-pyrazol-5-one
CID 59887976
(4Z)-3-tert-butyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 59888021
3,5-di(propan-2-yl)-1H-pyridazin-6-one
CID 60085381
7,11,12-Trimethyl-5,6-diazatricyclo[8.1.1.03,8]dodeca-2,6,8-trien-4-one
CID 71206021
(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one
CID 123338280
4-Propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
CID 134578028
5-(cyclopropylmethyl)-1H-pyridazin-6-one
CID 141763111
ethane;(5E)-4-methyl-3-(2-oxopropyl)-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
CID 141930787
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(3-methylbutyl)-1H-pyridazin-6-one
CID 143573124
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
CID 143672104
5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one
CID 155276761

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one (CID 168980231) is (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one is C=C(/C=c1/c(C(C)C)n[nH]c(=O)/c1=C/C)C1CC1.
What is the InChIKey of (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is KPXHFCNDDIQOCN-MLQRZSMFSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-12-13(8-10(4)11-6-7-11)14(9(2)3)16-17-15(12)18/h5,8-9,11H,4,6-7H2,1-3H3,(H,17,18)/b12-5+,13-8+.
What are the key properties of (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one?
(4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 244.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-(2-cyclopropylprop-2-enylidene)-5-ethylidene-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 168980231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).