2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine

C9H17NO — CID 143529597

IUPAC2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
SMILESCC1=C(C)OCC(C)(C)CN1
InChIInChI=1S/C9H17NO/c1-7-8(2)11-6-9(3,4)5-10-7/h10H,5-6H2,1-4H3
InChIKeyOWYQEZMTNRFWIN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.88
Rot. Bonds

About 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine

2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine (PubChem CID 143529597) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine.

Molecular Properties

Compound Name2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
PubChem CID143529597
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
SMILESCC1=C(C)OCC(C)(C)CN1
InChIInChI=1S/C9H17NO/c1-7-8(2)11-6-9(3,4)5-10-7/h10H,5-6H2,1-4H3
InChIKeyOWYQEZMTNRFWIN-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Di(propan-2-yl)-4,5,6,7-tetrahydro-1,4-oxazepine
CID 138703350
2,3-Dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 143188807
ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529606
(E)-3-propoxy-N-propylbut-2-en-2-amine
CID 145202328
2,3,5-Trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 167142299
2-Tert-butyl-3-propan-2-yl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 171431843
2,3-Ditert-butyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 171431875

Frequently Asked Questions

What is the IUPAC name of 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The IUPAC name of 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine (CID 143529597) is 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine.
What is the SMILES notation for 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The canonical SMILES for 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine is CC1=C(C)OCC(C)(C)CN1.
What is the InChIKey of 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The InChIKey is OWYQEZMTNRFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-8(2)11-6-9(3,4)5-10-7/h10H,5-6H2,1-4H3.
What are the key properties of 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine has a molecular weight of 155.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine is sourced from PubChem (CID 143529597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).