4a-methyl-5H-1,10-phenanthroline

C13H12N2 — CID 138548320

IUPAC4a-methyl-5H-1,10-phenanthroline
SMILESCC12C=CC=NC1=c1ncccc1=CC2
InChIInChI=1S/C13H12N2/c1-13-6-3-9-15-12(13)11-10(5-7-13)4-2-8-14-11/h2-6,8-9H,7H2,1H3
InChIKeyWFPVKSYOHKVGRZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.02
Rot. Bonds

About 4a-methyl-5H-1,10-phenanthroline

4a-methyl-5H-1,10-phenanthroline (PubChem CID 138548320) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4a-methyl-5H-1,10-phenanthroline.

Molecular Properties

Compound Name4a-methyl-5H-1,10-phenanthroline
PubChem CID138548320
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name4a-methyl-5H-1,10-phenanthroline
SMILESCC12C=CC=NC1=c1ncccc1=CC2
InChIInChI=1S/C13H12N2/c1-13-6-3-9-15-12(13)11-10(5-7-13)4-2-8-14-11/h2-6,8-9H,7H2,1H3
InChIKeyWFPVKSYOHKVGRZ-UHFFFAOYSA-N
XLogP1.02
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-5H-1,10-phenanthroline?
The IUPAC name of 4a-methyl-5H-1,10-phenanthroline (CID 138548320) is 4a-methyl-5H-1,10-phenanthroline.
What is the SMILES notation for 4a-methyl-5H-1,10-phenanthroline?
The canonical SMILES for 4a-methyl-5H-1,10-phenanthroline is CC12C=CC=NC1=c1ncccc1=CC2.
What is the InChIKey of 4a-methyl-5H-1,10-phenanthroline?
The InChIKey is WFPVKSYOHKVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-13-6-3-9-15-12(13)11-10(5-7-13)4-2-8-14-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 4a-methyl-5H-1,10-phenanthroline?
4a-methyl-5H-1,10-phenanthroline has a molecular weight of 196.25 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-5H-1,10-phenanthroline is sourced from PubChem (CID 138548320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).