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

C10H13NO2 — CID 16658085

IUPAC(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
SMILESC=C1C[C@H]2CC=C[C@H](C)N2C(=O)O1
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-9-6-8(2)13-10(12)11(7)9/h3-4,7,9H,2,5-6H2,1H3/t7-,9+/m0/s1
InChIKeyBEYGGRBHZPKGKY-IONNQARKSA-N
MW179.22 g/mol
LogP2.06
Rot. Bonds

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

(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one (PubChem CID 16658085) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
PubChem CID16658085
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
SMILESC=C1C[C@H]2CC=C[C@H](C)N2C(=O)O1
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-9-6-8(2)13-10(12)11(7)9/h3-4,7,9H,2,5-6H2,1H3/t7-,9+/m0/s1
InChIKeyBEYGGRBHZPKGKY-IONNQARKSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.06
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

4-Ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
CID 123412476
(4aR,8R)-8-tert-butyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
CID 16658086
(4aS,8S)-5-bromo-3-methylidene-8-prop-2-enyl-4,4a,7,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
CID 16658089
(4aR,8S)-7-bromo-3-methylidene-8-prop-2-enyl-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
CID 16658090

Frequently Asked Questions

What is the IUPAC name of (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The IUPAC name of (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one (CID 16658085) is (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for (4aR,8S)-8-methyl-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)N2C(=O)O1.
What is the InChIKey of (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
The InChIKey is BEYGGRBHZPKGKY-IONNQARKSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-3-5-9-6-8(2)13-10(12)11(7)9/h3-4,7,9H,2,5-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one?
(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one has a molecular weight of 179.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 16658085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).