2-prop-2-enylphthalazin-1-one

C11H10N2O — CID 18989461

IUPAC2-prop-2-enylphthalazin-1-one
SMILESC=CCn1ncc2ccccc2c1=O
InChIInChI=1S/C11H10N2O/c1-2-7-13-11(14)10-6-4-3-5-9(10)8-12-13/h2-6,8H,1,7H2
InChIKeyDEFPWPVOLOINBX-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.58
Rot. Bonds2

About 2-prop-2-enylphthalazin-1-one

2-prop-2-enylphthalazin-1-one (PubChem CID 18989461) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-prop-2-enylphthalazin-1-one.

Molecular Properties

Compound Name2-prop-2-enylphthalazin-1-one
PubChem CID18989461
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-prop-2-enylphthalazin-1-one
SMILESC=CCn1ncc2ccccc2c1=O
InChIInChI=1S/C11H10N2O/c1-2-7-13-11(14)10-6-4-3-5-9(10)8-12-13/h2-6,8H,1,7H2
InChIKeyDEFPWPVOLOINBX-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-enylphthalazin-1-one?
The IUPAC name of 2-prop-2-enylphthalazin-1-one (CID 18989461) is 2-prop-2-enylphthalazin-1-one.
What is the SMILES notation for 2-prop-2-enylphthalazin-1-one?
The canonical SMILES for 2-prop-2-enylphthalazin-1-one is C=CCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-prop-2-enylphthalazin-1-one?
The InChIKey is DEFPWPVOLOINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-7-13-11(14)10-6-4-3-5-9(10)8-12-13/h2-6,8H,1,7H2.
What are the key properties of 2-prop-2-enylphthalazin-1-one?
2-prop-2-enylphthalazin-1-one has a molecular weight of 186.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylphthalazin-1-one is sourced from PubChem (CID 18989461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).