7-methoxy-5-methyl-2H-azepine

C8H11NO — CID 123709575

IUPAC7-methoxy-5-methyl-2H-azepine
SMILESCOC1=NCC=CC(C)=C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9-8(6-7)10-2/h3-4,6H,5H2,1-2H3
InChIKeyYPZHODKDUQSQFN-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds

About 7-methoxy-5-methyl-2H-azepine

7-methoxy-5-methyl-2H-azepine (PubChem CID 123709575) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2H-azepine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2H-azepine
PubChem CID123709575
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-methoxy-5-methyl-2H-azepine
SMILESCOC1=NCC=CC(C)=C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9-8(6-7)10-2/h3-4,6H,5H2,1-2H3
InChIKeyYPZHODKDUQSQFN-UHFFFAOYSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2H-azepine?
The IUPAC name of 7-methoxy-5-methyl-2H-azepine (CID 123709575) is 7-methoxy-5-methyl-2H-azepine.
What is the SMILES notation for 7-methoxy-5-methyl-2H-azepine?
The canonical SMILES for 7-methoxy-5-methyl-2H-azepine is COC1=NCC=CC(C)=C1.
What is the InChIKey of 7-methoxy-5-methyl-2H-azepine?
The InChIKey is YPZHODKDUQSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-4-3-5-9-8(6-7)10-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 7-methoxy-5-methyl-2H-azepine?
7-methoxy-5-methyl-2H-azepine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2H-azepine is sourced from PubChem (CID 123709575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).