2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine

C7H13NO — CID 143188807

IUPAC2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCCN1
InChIInChI=1S/C7H13NO/c1-6-7(2)9-5-3-4-8-6/h8H,3-5H2,1-2H3
InChIKeyZBWFKZVAZRKVMM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.25
Rot. Bonds

About 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine

2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine (PubChem CID 143188807) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
PubChem CID143188807
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCCN1
InChIInChI=1S/C7H13NO/c1-6-7(2)9-5-3-4-8-6/h8H,3-5H2,1-2H3
InChIKeyZBWFKZVAZRKVMM-UHFFFAOYSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine (CID 143188807) is 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The canonical SMILES for 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine is CC1=C(C)OCCCN1.
What is the InChIKey of 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The InChIKey is ZBWFKZVAZRKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-7(2)9-5-3-4-8-6/h8H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine has a molecular weight of 127.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine is sourced from PubChem (CID 143188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).