2,7-dimethyl-4,5-dihydro-1,3-oxazepine

C7H11NO — CID 154531298

IUPAC2,7-dimethyl-4,5-dihydro-1,3-oxazepine
SMILESCC1=CCCN=C(C)O1
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8-7(2)9-6/h4H,3,5H2,1-2H3
InChIKeyOOAOZCBQGLYAIH-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.73
Rot. Bonds

About 2,7-dimethyl-4,5-dihydro-1,3-oxazepine

2,7-dimethyl-4,5-dihydro-1,3-oxazepine (PubChem CID 154531298) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,7-dimethyl-4,5-dihydro-1,3-oxazepine.

Molecular Properties

Compound Name2,7-dimethyl-4,5-dihydro-1,3-oxazepine
PubChem CID154531298
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,7-dimethyl-4,5-dihydro-1,3-oxazepine
SMILESCC1=CCCN=C(C)O1
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8-7(2)9-6/h4H,3,5H2,1-2H3
InChIKeyOOAOZCBQGLYAIH-UHFFFAOYSA-N
XLogP1.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2,4-dimethyl-4H-1,3-oxazine
CID 144465049
[(E)-pent-2-en-2-yl] N-methylethanimidate
CID 164574589

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,5-dihydro-1,3-oxazepine?
The IUPAC name of 2,7-dimethyl-4,5-dihydro-1,3-oxazepine (CID 154531298) is 2,7-dimethyl-4,5-dihydro-1,3-oxazepine.
What is the SMILES notation for 2,7-dimethyl-4,5-dihydro-1,3-oxazepine?
The canonical SMILES for 2,7-dimethyl-4,5-dihydro-1,3-oxazepine is CC1=CCCN=C(C)O1.
What is the InChIKey of 2,7-dimethyl-4,5-dihydro-1,3-oxazepine?
The InChIKey is OOAOZCBQGLYAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-3-5-8-7(2)9-6/h4H,3,5H2,1-2H3.
What are the key properties of 2,7-dimethyl-4,5-dihydro-1,3-oxazepine?
2,7-dimethyl-4,5-dihydro-1,3-oxazepine has a molecular weight of 125.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,5-dihydro-1,3-oxazepine is sourced from PubChem (CID 154531298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).