7-methoxy-4-propyl-2H-azepine

C10H15NO — CID 91098027

IUPAC7-methoxy-4-propyl-2H-azepine
SMILESCCCC1=CCN=C(OC)C=C1
InChIInChI=1S/C10H15NO/c1-3-4-9-5-6-10(12-2)11-8-7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyGRGHPHLPQYFVLE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.33
Rot. Bonds2

About 7-methoxy-4-propyl-2H-azepine

7-methoxy-4-propyl-2H-azepine (PubChem CID 91098027) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-methoxy-4-propyl-2H-azepine.

Molecular Properties

Compound Name7-methoxy-4-propyl-2H-azepine
PubChem CID91098027
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7-methoxy-4-propyl-2H-azepine
SMILESCCCC1=CCN=C(OC)C=C1
InChIInChI=1S/C10H15NO/c1-3-4-9-5-6-10(12-2)11-8-7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyGRGHPHLPQYFVLE-UHFFFAOYSA-N
XLogP2.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propyl-2H-azepine?
The IUPAC name of 7-methoxy-4-propyl-2H-azepine (CID 91098027) is 7-methoxy-4-propyl-2H-azepine.
What is the SMILES notation for 7-methoxy-4-propyl-2H-azepine?
The canonical SMILES for 7-methoxy-4-propyl-2H-azepine is CCCC1=CCN=C(OC)C=C1.
What is the InChIKey of 7-methoxy-4-propyl-2H-azepine?
The InChIKey is GRGHPHLPQYFVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-9-5-6-10(12-2)11-8-7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 7-methoxy-4-propyl-2H-azepine?
7-methoxy-4-propyl-2H-azepine has a molecular weight of 165.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propyl-2H-azepine is sourced from PubChem (CID 91098027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).