(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one

C13H19NO2 — CID 16658086

IUPAC(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
SMILESC=C1C[C@H]2CC=C[C@H](C(C)(C)C)N2C(=O)O1
InChIInChI=1S/C13H19NO2/c1-9-8-10-6-5-7-11(13(2,3)4)14(10)12(15)16-9/h5,7,10-11H,1,6,8H2,2-4H3/t10-,11-/m1/s1
InChIKeySXLFBMFYSDQXFM-GHMZBOCLSA-N
MW221.30 g/mol
LogP3.09
Rot. Bonds

About (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one

(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one (PubChem CID 16658086) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
PubChem CID16658086
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
SMILESC=C1C[C@H]2CC=C[C@H](C(C)(C)C)N2C(=O)O1
InChIInChI=1S/C13H19NO2/c1-9-8-10-6-5-7-11(13(2,3)4)14(10)12(15)16-9/h5,7,10-11H,1,6,8H2,2-4H3/t10-,11-/m1/s1
InChIKeySXLFBMFYSDQXFM-GHMZBOCLSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
CID 16658085

Frequently Asked Questions

What is the IUPAC name of (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The IUPAC name of (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one (CID 16658086) is (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one is C=C1C[C@H]2CC=C[C@H](C(C)(C)C)N2C(=O)O1.
What is the InChIKey of (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The InChIKey is SXLFBMFYSDQXFM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-8-10-6-5-7-11(13(2,3)4)14(10)12(15)16-9/h5,7,10-11H,1,6,8H2,2-4H3/t10-,11-/m1/s1.
What are the key properties of (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one has a molecular weight of 221.30 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 16658086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).