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

C7H13NO — CID 90942786

IUPAC6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCNC1
InChIInChI=1S/C7H13NO/c1-6-5-8-3-4-9-7(6)2/h8H,3-5H2,1-2H3
InChIKeyRHMOXEOUGVIWGI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds

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

6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine (PubChem CID 90942786) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
PubChem CID90942786
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCNC1
InChIInChI=1S/C7H13NO/c1-6-5-8-3-4-9-7(6)2/h8H,3-5H2,1-2H3
InChIKeyRHMOXEOUGVIWGI-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The IUPAC name of 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine (CID 90942786) is 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The canonical SMILES for 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine is CC1=C(C)OCCNC1.
What is the InChIKey of 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The InChIKey is RHMOXEOUGVIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-5-8-3-4-9-7(6)2/h8H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine?
6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine is sourced from PubChem (CID 90942786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).