3-methoxy-3-methylazepine

C8H11NO — CID 143458036

IUPAC3-methoxy-3-methylazepine
SMILESCOC1(C)C=CC=CN=C1
InChIInChI=1S/C8H11NO/c1-8(10-2)5-3-4-6-9-7-8/h3-7H,1-2H3
InChIKeyJSHBZZAPSRHILW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds1

About 3-methoxy-3-methylazepine

3-methoxy-3-methylazepine (PubChem CID 143458036) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-methoxy-3-methylazepine.

Molecular Properties

Compound Name3-methoxy-3-methylazepine
PubChem CID143458036
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-methoxy-3-methylazepine
SMILESCOC1(C)C=CC=CN=C1
InChIInChI=1S/C8H11NO/c1-8(10-2)5-3-4-6-9-7-8/h3-7H,1-2H3
InChIKeyJSHBZZAPSRHILW-UHFFFAOYSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-methoxy-3-methylazepine?
The IUPAC name of 3-methoxy-3-methylazepine (CID 143458036) is 3-methoxy-3-methylazepine.
What is the SMILES notation for 3-methoxy-3-methylazepine?
The canonical SMILES for 3-methoxy-3-methylazepine is COC1(C)C=CC=CN=C1.
What is the InChIKey of 3-methoxy-3-methylazepine?
The InChIKey is JSHBZZAPSRHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(10-2)5-3-4-6-9-7-8/h3-7H,1-2H3.
What are the key properties of 3-methoxy-3-methylazepine?
3-methoxy-3-methylazepine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylazepine is sourced from PubChem (CID 143458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).