4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine

C11H16N2O — CID 170582186

IUPAC4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine
SMILESCN1CCOC2=C1N=CC(C)(C)C=C2
InChIInChI=1S/C11H16N2O/c1-11(2)5-4-9-10(12-8-11)13(3)6-7-14-9/h4-5,8H,6-7H2,1-3H3
InChIKeyDCOGGFYCLKZXRR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.78
Rot. Bonds

About 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine

4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine (PubChem CID 170582186) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine.

Molecular Properties

Compound Name4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine
PubChem CID170582186
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine
SMILESCN1CCOC2=C1N=CC(C)(C)C=C2
InChIInChI=1S/C11H16N2O/c1-11(2)5-4-9-10(12-8-11)13(3)6-7-14-9/h4-5,8H,6-7H2,1-3H3
InChIKeyDCOGGFYCLKZXRR-UHFFFAOYSA-N
XLogP1.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine?
The IUPAC name of 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine (CID 170582186) is 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine.
What is the SMILES notation for 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine?
The canonical SMILES for 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine is CN1CCOC2=C1N=CC(C)(C)C=C2.
What is the InChIKey of 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine?
The InChIKey is DCOGGFYCLKZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)5-4-9-10(12-8-11)13(3)6-7-14-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine?
4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine has a molecular weight of 192.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine is sourced from PubChem (CID 170582186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).