8-methyl-5H-phenanthridin-6-one

C14H11NO — CID 102200304

IUPAC8-methyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1ccccc12
InChIInChI=1S/C14H11NO/c1-9-6-7-10-11-4-2-3-5-13(11)15-14(16)12(10)8-9/h2-8H,1H3,(H,15,16)
InChIKeyZELCRJRKZUSBBH-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.99
Rot. Bonds

About 8-methyl-5H-phenanthridin-6-one

8-methyl-5H-phenanthridin-6-one (PubChem CID 102200304) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 8-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name8-methyl-5H-phenanthridin-6-one
PubChem CID102200304
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name8-methyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1ccccc12
InChIInChI=1S/C14H11NO/c1-9-6-7-10-11-4-2-3-5-13(11)15-14(16)12(10)8-9/h2-8H,1H3,(H,15,16)
InChIKeyZELCRJRKZUSBBH-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5H-phenanthridin-6-one?
The IUPAC name of 8-methyl-5H-phenanthridin-6-one (CID 102200304) is 8-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 8-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 8-methyl-5H-phenanthridin-6-one is Cc1ccc2c(c1)c(=O)[nH]c1ccccc12.
What is the InChIKey of 8-methyl-5H-phenanthridin-6-one?
The InChIKey is ZELCRJRKZUSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-9-6-7-10-11-4-2-3-5-13(11)15-14(16)12(10)8-9/h2-8H,1H3,(H,15,16).
What are the key properties of 8-methyl-5H-phenanthridin-6-one?
8-methyl-5H-phenanthridin-6-one has a molecular weight of 209.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 102200304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).