3,4-dimethyloxazepine

C7H9NO — CID 150339026

IUPAC3,4-dimethyloxazepine
SMILESCC1=CC=CON=C1C
InChIInChI=1S/C7H9NO/c1-6-4-3-5-9-8-7(6)2/h3-5H,1-2H3
InChIKeyGRHLTLLHFZJCNX-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.85
Rot. Bonds

About 3,4-dimethyloxazepine

3,4-dimethyloxazepine (PubChem CID 150339026) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3,4-dimethyloxazepine.

Molecular Properties

Compound Name3,4-dimethyloxazepine
PubChem CID150339026
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3,4-dimethyloxazepine
SMILESCC1=CC=CON=C1C
InChIInChI=1S/C7H9NO/c1-6-4-3-5-9-8-7(6)2/h3-5H,1-2H3
InChIKeyGRHLTLLHFZJCNX-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxazepine?
The IUPAC name of 3,4-dimethyloxazepine (CID 150339026) is 3,4-dimethyloxazepine.
What is the SMILES notation for 3,4-dimethyloxazepine?
The canonical SMILES for 3,4-dimethyloxazepine is CC1=CC=CON=C1C.
What is the InChIKey of 3,4-dimethyloxazepine?
The InChIKey is GRHLTLLHFZJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-4-3-5-9-8-7(6)2/h3-5H,1-2H3.
What are the key properties of 3,4-dimethyloxazepine?
3,4-dimethyloxazepine has a molecular weight of 123.15 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxazepine is sourced from PubChem (CID 150339026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).