2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide

C12H15N3O2 — CID 122278694

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H15N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h2,5-6,9H,1,3-4,7-8H2,(H,13,16)
InChIKeyLSPRDMBEPYIVDQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.42
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide (PubChem CID 122278694) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide
PubChem CID122278694
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H15N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h2,5-6,9H,1,3-4,7-8H2,(H,13,16)
InChIKeyLSPRDMBEPYIVDQ-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide (CID 122278694) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is LSPRDMBEPYIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h2,5-6,9H,1,3-4,7-8H2,(H,13,16).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 233.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 122278694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).