2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one

C15H23N3O — CID 72871001

IUPAC2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(C)=CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H23N3O/c1-13(2)7-6-10-18-15(19)11-14(12-16-18)17-8-4-3-5-9-17/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyUSFNLPVXTOPTDS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one

2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72871001) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID72871001
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(C)=CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H23N3O/c1-13(2)7-6-10-18-15(19)11-14(12-16-18)17-8-4-3-5-9-17/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyUSFNLPVXTOPTDS-UHFFFAOYSA-N
XLogP2.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one (CID 72871001) is 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one is CC(C)=CCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is USFNLPVXTOPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(2)7-6-10-18-15(19)11-14(12-16-18)17-8-4-3-5-9-17/h7,11-12H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one?
2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72871001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).