5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine

C8H15NO — CID 55287336

IUPAC5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine
SMILESCC1=CC(C)(C)NCCO1
InChIInChI=1S/C8H15NO/c1-7-6-8(2,3)9-4-5-10-7/h6,9H,4-5H2,1-3H3
InChIKeyZXMMRWOZMRIEAF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds

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

5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine (PubChem CID 55287336) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine.

Molecular Properties

Compound Name5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine
PubChem CID55287336
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine
SMILESCC1=CC(C)(C)NCCO1
InChIInChI=1S/C8H15NO/c1-7-6-8(2,3)9-4-5-10-7/h6,9H,4-5H2,1-3H3
InChIKeyZXMMRWOZMRIEAF-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine?
The IUPAC name of 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine (CID 55287336) is 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine.
What is the SMILES notation for 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine?
The canonical SMILES for 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine is CC1=CC(C)(C)NCCO1.
What is the InChIKey of 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine?
The InChIKey is ZXMMRWOZMRIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-8(2,3)9-4-5-10-7/h6,9H,4-5H2,1-3H3.
What are the key properties of 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine?
5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine is sourced from PubChem (CID 55287336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).