8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one

C12H21NO2 — CID 167352151

IUPAC8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESCC(C)(C)C1CCN2C(=O)COCC2C1
InChIInChI=1S/C12H21NO2/c1-12(2,3)9-4-5-13-10(6-9)7-15-8-11(13)14/h9-10H,4-8H2,1-3H3
InChIKeyFVWXJLGHAXQDMX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds

About 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one

8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one (PubChem CID 167352151) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
PubChem CID167352151
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESCC(C)(C)C1CCN2C(=O)COCC2C1
InChIInChI=1S/C12H21NO2/c1-12(2,3)9-4-5-13-10(6-9)7-15-8-11(13)14/h9-10H,4-8H2,1-3H3
InChIKeyFVWXJLGHAXQDMX-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one (CID 167352151) is 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one is CC(C)(C)C1CCN2C(=O)COCC2C1.
What is the InChIKey of 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The InChIKey is FVWXJLGHAXQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)9-4-5-13-10(6-9)7-15-8-11(13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 167352151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).