2-methoxy-7-methyl-1H-1,3-diazepine

C7H10N2O — CID 10630559

IUPAC2-methoxy-7-methyl-1H-1,3-diazepine
SMILESCOC1=NC=CC=C(C)N1
InChIInChI=1S/C7H10N2O/c1-6-4-3-5-8-7(9-6)10-2/h3-5H,1-2H3,(H,8,9)
InChIKeyQMNZIHKMPVWGIZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.01
Rot. Bonds

About 2-methoxy-7-methyl-1H-1,3-diazepine

2-methoxy-7-methyl-1H-1,3-diazepine (PubChem CID 10630559) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methoxy-7-methyl-1H-1,3-diazepine.

Molecular Properties

Compound Name2-methoxy-7-methyl-1H-1,3-diazepine
PubChem CID10630559
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methoxy-7-methyl-1H-1,3-diazepine
SMILESCOC1=NC=CC=C(C)N1
InChIInChI=1S/C7H10N2O/c1-6-4-3-5-8-7(9-6)10-2/h3-5H,1-2H3,(H,8,9)
InChIKeyQMNZIHKMPVWGIZ-UHFFFAOYSA-N
XLogP1.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methyl-1H-1,3-diazepine?
The IUPAC name of 2-methoxy-7-methyl-1H-1,3-diazepine (CID 10630559) is 2-methoxy-7-methyl-1H-1,3-diazepine.
What is the SMILES notation for 2-methoxy-7-methyl-1H-1,3-diazepine?
The canonical SMILES for 2-methoxy-7-methyl-1H-1,3-diazepine is COC1=NC=CC=C(C)N1.
What is the InChIKey of 2-methoxy-7-methyl-1H-1,3-diazepine?
The InChIKey is QMNZIHKMPVWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6-4-3-5-8-7(9-6)10-2/h3-5H,1-2H3,(H,8,9).
What are the key properties of 2-methoxy-7-methyl-1H-1,3-diazepine?
2-methoxy-7-methyl-1H-1,3-diazepine has a molecular weight of 138.17 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-1H-1,3-diazepine is sourced from PubChem (CID 10630559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).