4-methoxy-1H-azepine

C7H9NO — CID 130177892

IUPAC4-methoxy-1H-azepine
SMILESCOC1=CC=CNC=C1
InChIInChI=1S/C7H9NO/c1-9-7-3-2-5-8-6-4-7/h2-6,8H,1H3
InChIKeyFWGVTBSFGGJHFF-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.15
Rot. Bonds1

About 4-methoxy-1H-azepine

4-methoxy-1H-azepine (PubChem CID 130177892) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-methoxy-1H-azepine.

Molecular Properties

Compound Name4-methoxy-1H-azepine
PubChem CID130177892
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-methoxy-1H-azepine
SMILESCOC1=CC=CNC=C1
InChIInChI=1S/C7H9NO/c1-9-7-3-2-5-8-6-4-7/h2-6,8H,1H3
InChIKeyFWGVTBSFGGJHFF-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-azepine?
The IUPAC name of 4-methoxy-1H-azepine (CID 130177892) is 4-methoxy-1H-azepine.
What is the SMILES notation for 4-methoxy-1H-azepine?
The canonical SMILES for 4-methoxy-1H-azepine is COC1=CC=CNC=C1.
What is the InChIKey of 4-methoxy-1H-azepine?
The InChIKey is FWGVTBSFGGJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-9-7-3-2-5-8-6-4-7/h2-6,8H,1H3.
What are the key properties of 4-methoxy-1H-azepine?
4-methoxy-1H-azepine has a molecular weight of 123.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-azepine is sourced from PubChem (CID 130177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).