(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid

C10H12N2O3 — CID 82442311

IUPAC(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid
SMILESCCCn1nc(/C=C/C(=O)O)ccc1=O
InChIInChI=1S/C10H12N2O3/c1-2-7-12-9(13)5-3-8(11-12)4-6-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)/b6-4+
InChIKeyQUSRACDFMCEAII-GQCTYLIASA-N
MW208.22 g/mol
LogP0.75
Rot. Bonds4

About (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid

(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid (PubChem CID 82442311) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid
PubChem CID82442311
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid
SMILESCCCn1nc(/C=C/C(=O)O)ccc1=O
InChIInChI=1S/C10H12N2O3/c1-2-7-12-9(13)5-3-8(11-12)4-6-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)/b6-4+
InChIKeyQUSRACDFMCEAII-GQCTYLIASA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-(4-methylphenyl)-3-oxo-2-propylpyridazin-4-yl]prop-2-enoic acid
CID 82446627
6-methyl-2-propylpyridazin-3-one
CID 12504076
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
CID 82442315
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid (CID 82442311) is (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid is CCCn1nc(/C=C/C(=O)O)ccc1=O.
What is the InChIKey of (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid?
The InChIKey is QUSRACDFMCEAII-GQCTYLIASA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-7-12-9(13)5-3-8(11-12)4-6-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)/b6-4+.
What are the key properties of (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid?
(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).