5-methylphenanthridin-1-one

C14H11NO — CID 19009330

IUPAC5-methylphenanthridin-1-one
SMILESCn1cc2ccccc2c2c(=O)cccc1-2
InChIInChI=1S/C14H11NO/c1-15-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13(14)16/h2-9H,1H3
InChIKeyUCRTYHLYBPKGPI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds

About 5-methylphenanthridin-1-one

5-methylphenanthridin-1-one (PubChem CID 19009330) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methylphenanthridin-1-one.

Molecular Properties

Compound Name5-methylphenanthridin-1-one
PubChem CID19009330
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name5-methylphenanthridin-1-one
SMILESCn1cc2ccccc2c2c(=O)cccc1-2
InChIInChI=1S/C14H11NO/c1-15-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13(14)16/h2-9H,1H3
InChIKeyUCRTYHLYBPKGPI-UHFFFAOYSA-N
XLogP2.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methylphenanthridin-1-one?
The IUPAC name of 5-methylphenanthridin-1-one (CID 19009330) is 5-methylphenanthridin-1-one.
What is the SMILES notation for 5-methylphenanthridin-1-one?
The canonical SMILES for 5-methylphenanthridin-1-one is Cn1cc2ccccc2c2c(=O)cccc1-2.
What is the InChIKey of 5-methylphenanthridin-1-one?
The InChIKey is UCRTYHLYBPKGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-15-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13(14)16/h2-9H,1H3.
What are the key properties of 5-methylphenanthridin-1-one?
5-methylphenanthridin-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylphenanthridin-1-one is sourced from PubChem (CID 19009330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).