7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

C11H16N2O — CID 155612954

IUPAC7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)c1cc2c(cn1)NCCO2
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-6-9-8(7-13-10)12-4-5-14-9/h6-7,12H,4-5H2,1-3H3
InChIKeyFARBPQQODAMZIS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds

About 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 155612954) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID155612954
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)c1cc2c(cn1)NCCO2
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-6-9-8(7-13-10)12-4-5-14-9/h6-7,12H,4-5H2,1-3H3
InChIKeyFARBPQQODAMZIS-UHFFFAOYSA-N
XLogP2.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (CID 155612954) is 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is CC(C)(C)c1cc2c(cn1)NCCO2.
What is the InChIKey of 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is FARBPQQODAMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)10-6-9-8(7-13-10)12-4-5-14-9/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 192.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 155612954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).