1H-azepine

C6H7N — CID 6451476

IUPAC1H-azepine
SMILESC1=CC=CNC=C1
InChIInChI=1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7H
InChIKeyXYOVOXDWRFGKEX-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.17
Rot. Bonds

About 1H-azepine

1H-azepine (PubChem CID 6451476) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 1H-azepine.

Molecular Properties

Compound Name1H-azepine
PubChem CID6451476
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name1H-azepine
SMILESC1=CC=CNC=C1
InChIInChI=1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7H
InChIKeyXYOVOXDWRFGKEX-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-azepine?
The IUPAC name of 1H-azepine (CID 6451476) is 1H-azepine.
What is the SMILES notation for 1H-azepine?
The canonical SMILES for 1H-azepine is C1=CC=CNC=C1.
What is the InChIKey of 1H-azepine?
The InChIKey is XYOVOXDWRFGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7H.
What are the key properties of 1H-azepine?
1H-azepine has a molecular weight of 93.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine is sourced from PubChem (CID 6451476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).