9-methylphenanthridine

C14H11N — CID 10987123

IUPAC9-methylphenanthridine
SMILESCc1ccc2cnc3ccccc3c2c1
InChIInChI=1S/C14H11N/c1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10/h2-9H,1H3
InChIKeyDWWFVBWGMXKEMS-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.70
Rot. Bonds

About 9-methylphenanthridine

9-methylphenanthridine (PubChem CID 10987123) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 9-methylphenanthridine.

Molecular Properties

Compound Name9-methylphenanthridine
PubChem CID10987123
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name9-methylphenanthridine
SMILESCc1ccc2cnc3ccccc3c2c1
InChIInChI=1S/C14H11N/c1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10/h2-9H,1H3
InChIKeyDWWFVBWGMXKEMS-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
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 9-methylphenanthridine?
The IUPAC name of 9-methylphenanthridine (CID 10987123) is 9-methylphenanthridine.
What is the SMILES notation for 9-methylphenanthridine?
The canonical SMILES for 9-methylphenanthridine is Cc1ccc2cnc3ccccc3c2c1.
What is the InChIKey of 9-methylphenanthridine?
The InChIKey is DWWFVBWGMXKEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-10-6-7-11-9-15-14-5-3-2-4-12(14)13(11)8-10/h2-9H,1H3.
What are the key properties of 9-methylphenanthridine?
9-methylphenanthridine has a molecular weight of 193.25 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylphenanthridine is sourced from PubChem (CID 10987123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).