7-methyl-4H-azepine

C7H9N — CID 23594837

IUPAC7-methyl-4H-azepine
SMILESCC1=NC=CCC=C1
InChIInChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h3-6H,2H2,1H3
InChIKeyBCRPYXHNIMIVSU-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds

About 7-methyl-4H-azepine

7-methyl-4H-azepine (PubChem CID 23594837) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 7-methyl-4H-azepine.

Molecular Properties

Compound Name7-methyl-4H-azepine
PubChem CID23594837
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name7-methyl-4H-azepine
SMILESCC1=NC=CCC=C1
InChIInChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h3-6H,2H2,1H3
InChIKeyBCRPYXHNIMIVSU-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4H-azepine?
The IUPAC name of 7-methyl-4H-azepine (CID 23594837) is 7-methyl-4H-azepine.
What is the SMILES notation for 7-methyl-4H-azepine?
The canonical SMILES for 7-methyl-4H-azepine is CC1=NC=CCC=C1.
What is the InChIKey of 7-methyl-4H-azepine?
The InChIKey is BCRPYXHNIMIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7-5-3-2-4-6-8-7/h3-6H,2H2,1H3.
What are the key properties of 7-methyl-4H-azepine?
7-methyl-4H-azepine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4H-azepine is sourced from PubChem (CID 23594837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).