6-cyclopropylidene-1,10-phenanthrolin-5-one

C15H10N2O — CID 70853557

IUPAC6-cyclopropylidene-1,10-phenanthrolin-5-one
SMILESO=C1C(=C2CC2)c2cccnc2-c2ncccc21
InChIInChI=1S/C15H10N2O/c18-15-11-4-2-8-17-14(11)13-10(3-1-7-16-13)12(15)9-5-6-9/h1-4,7-8H,5-6H2
InChIKeyKTOMUWXAFYCFEA-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.89
Rot. Bonds

About 6-cyclopropylidene-1,10-phenanthrolin-5-one

6-cyclopropylidene-1,10-phenanthrolin-5-one (PubChem CID 70853557) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-cyclopropylidene-1,10-phenanthrolin-5-one.

Molecular Properties

Compound Name6-cyclopropylidene-1,10-phenanthrolin-5-one
PubChem CID70853557
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name6-cyclopropylidene-1,10-phenanthrolin-5-one
SMILESO=C1C(=C2CC2)c2cccnc2-c2ncccc21
InChIInChI=1S/C15H10N2O/c18-15-11-4-2-8-17-14(11)13-10(3-1-7-16-13)12(15)9-5-6-9/h1-4,7-8H,5-6H2
InChIKeyKTOMUWXAFYCFEA-UHFFFAOYSA-N
XLogP2.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylidene-1,10-phenanthrolin-5-one?
The IUPAC name of 6-cyclopropylidene-1,10-phenanthrolin-5-one (CID 70853557) is 6-cyclopropylidene-1,10-phenanthrolin-5-one.
What is the SMILES notation for 6-cyclopropylidene-1,10-phenanthrolin-5-one?
The canonical SMILES for 6-cyclopropylidene-1,10-phenanthrolin-5-one is O=C1C(=C2CC2)c2cccnc2-c2ncccc21.
What is the InChIKey of 6-cyclopropylidene-1,10-phenanthrolin-5-one?
The InChIKey is KTOMUWXAFYCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c18-15-11-4-2-8-17-14(11)13-10(3-1-7-16-13)12(15)9-5-6-9/h1-4,7-8H,5-6H2.
What are the key properties of 6-cyclopropylidene-1,10-phenanthrolin-5-one?
6-cyclopropylidene-1,10-phenanthrolin-5-one has a molecular weight of 234.26 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylidene-1,10-phenanthrolin-5-one is sourced from PubChem (CID 70853557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).