6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine

C12H19NO — CID 153352482

IUPAC6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OC(C)(C)CN(C)C1
InChIInChI=1S/C12H19NO/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2/h6-7H,1-2,8-9H2,3-5H3
InChIKeyWXTZZMFVXFZGSX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds2

About 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine

6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine (PubChem CID 153352482) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine
PubChem CID153352482
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OC(C)(C)CN(C)C1
InChIInChI=1S/C12H19NO/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2/h6-7H,1-2,8-9H2,3-5H3
InChIKeyWXTZZMFVXFZGSX-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine?
The IUPAC name of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine (CID 153352482) is 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine.
What is the SMILES notation for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine?
The canonical SMILES for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine is C=CC1=C(C=C)OC(C)(C)CN(C)C1.
What is the InChIKey of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine?
The InChIKey is WXTZZMFVXFZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2/h6-7H,1-2,8-9H2,3-5H3.
What are the key properties of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine?
6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine is sourced from PubChem (CID 153352482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).