7-methoxy-2-methyl-6H-1,3-diazonine

C9H12N2O — CID 163969738

IUPAC7-methoxy-2-methyl-6H-1,3-diazonine
SMILESCOC1=C/C=N\C(C)=N/C=CC1
InChIInChI=1S/C9H12N2O/c1-8-10-6-3-4-9(12-2)5-7-11-8/h3,5-7H,4H2,1-2H3/b6-3?,9-5?,10-8-,11-7-
InChIKeyIZWXTQMNTKESDW-OEPHQJMHSA-N
MW164.21 g/mol
LogP1.92
Rot. Bonds1

About 7-methoxy-2-methyl-6H-1,3-diazonine

7-methoxy-2-methyl-6H-1,3-diazonine (PubChem CID 163969738) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6H-1,3-diazonine.

Molecular Properties

Compound Name7-methoxy-2-methyl-6H-1,3-diazonine
PubChem CID163969738
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name7-methoxy-2-methyl-6H-1,3-diazonine
SMILESCOC1=C/C=N\C(C)=N/C=CC1
InChIInChI=1S/C9H12N2O/c1-8-10-6-3-4-9(12-2)5-7-11-8/h3,5-7H,4H2,1-2H3/b6-3?,9-5?,10-8-,11-7-
InChIKeyIZWXTQMNTKESDW-OEPHQJMHSA-N
XLogP1.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6H-1,3-diazonine?
The IUPAC name of 7-methoxy-2-methyl-6H-1,3-diazonine (CID 163969738) is 7-methoxy-2-methyl-6H-1,3-diazonine.
What is the SMILES notation for 7-methoxy-2-methyl-6H-1,3-diazonine?
The canonical SMILES for 7-methoxy-2-methyl-6H-1,3-diazonine is COC1=C/C=N\C(C)=N/C=CC1.
What is the InChIKey of 7-methoxy-2-methyl-6H-1,3-diazonine?
The InChIKey is IZWXTQMNTKESDW-OEPHQJMHSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8-10-6-3-4-9(12-2)5-7-11-8/h3,5-7H,4H2,1-2H3/b6-3?,9-5?,10-8-,11-7-.
What are the key properties of 7-methoxy-2-methyl-6H-1,3-diazonine?
7-methoxy-2-methyl-6H-1,3-diazonine has a molecular weight of 164.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6H-1,3-diazonine is sourced from PubChem (CID 163969738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).