2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one

C16H13N3O — CID 10084116

IUPAC2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one
SMILESC=CCn1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C16H13N3O/c1-2-10-19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-11-12/h2-9,11H,1,10H2
InChIKeyWPCNQZRRXZKRNT-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.64
Rot. Bonds3

About 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one

2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one (PubChem CID 10084116) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one
PubChem CID10084116
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one
SMILESC=CCn1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C16H13N3O/c1-2-10-19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-11-12/h2-9,11H,1,10H2
InChIKeyWPCNQZRRXZKRNT-UHFFFAOYSA-N
XLogP2.64
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.64
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-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one?
The IUPAC name of 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one (CID 10084116) is 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one?
The canonical SMILES for 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one is C=CCn1nc(-c2cccnc2)c2ccccc2c1=O.
What is the InChIKey of 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one?
The InChIKey is WPCNQZRRXZKRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-10-19-16(20)14-8-4-3-7-13(14)15(18-19)12-6-5-9-17-11-12/h2-9,11H,1,10H2.
What are the key properties of 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one?
2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one has a molecular weight of 263.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-pyridin-3-ylphthalazin-1-one is sourced from PubChem (CID 10084116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).