3-methyl-5H-phenanthridin-6-one

C14H11NO — CID 59877971

IUPAC3-methyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C14H11NO/c1-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16)
InChIKeyGTTRNBFREIJAFY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.99
Rot. Bonds

About 3-methyl-5H-phenanthridin-6-one

3-methyl-5H-phenanthridin-6-one (PubChem CID 59877971) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-methyl-5H-phenanthridin-6-one
PubChem CID59877971
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-methyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C14H11NO/c1-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16)
InChIKeyGTTRNBFREIJAFY-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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Related Compounds

8-methyl-5H-phenanthridin-6-one
CID 102200304
3-methoxy-5H-phenanthridin-6-one
CID 12706603
6-oxo-5H-phenanthridine-3-carboxamide
CID 140650320
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
2,7-dimethyltriphenylene
CID 23261750
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
ethane;2-methyltriphenylene
CID 91569125
2-carbazol-9-yl-7-methyl-9H-carbazole
CID 155179802
9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 163441537
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
2-methyl-7-propan-2-yl-9H-carbazole
CID 70868316
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5H-phenanthridin-6-one?
The IUPAC name of 3-methyl-5H-phenanthridin-6-one (CID 59877971) is 3-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 3-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 3-methyl-5H-phenanthridin-6-one is Cc1ccc2c(c1)[nH]c(=O)c1ccccc12.
What is the InChIKey of 3-methyl-5H-phenanthridin-6-one?
The InChIKey is GTTRNBFREIJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16).
What are the key properties of 3-methyl-5H-phenanthridin-6-one?
3-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 3-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 59877971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).