(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane

C12H18N2O — CID 163292265

IUPAC(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane
SMILESC=C1Nc2nccc(C)c2O[C@H]1C.CC
InChIInChI=1S/C10H12N2O.C2H6/c1-6-4-5-11-10-9(6)13-8(3)7(2)12-10;1-2/h4-5,8H,2H2,1,3H3,(H,11,12);1-2H3/t8-;/m0./s1
InChIKeyOJYYSKNCEOROOQ-QRPNPIFTSA-N
MW206.29 g/mol
LogP3.12
Rot. Bonds

About (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane

(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane (PubChem CID 163292265) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane.

Molecular Properties

Compound Name(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane
PubChem CID163292265
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane
SMILESC=C1Nc2nccc(C)c2O[C@H]1C.CC
InChIInChI=1S/C10H12N2O.C2H6/c1-6-4-5-11-10-9(6)13-8(3)7(2)12-10;1-2/h4-5,8H,2H2,1,3H3,(H,11,12);1-2H3/t8-;/m0./s1
InChIKeyOJYYSKNCEOROOQ-QRPNPIFTSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane?
The IUPAC name of (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane (CID 163292265) is (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane.
What is the SMILES notation for (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane?
The canonical SMILES for (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane is C=C1Nc2nccc(C)c2O[C@H]1C.CC.
What is the InChIKey of (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane?
The InChIKey is OJYYSKNCEOROOQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-6-4-5-11-10-9(6)13-8(3)7(2)12-10;1-2/h4-5,8H,2H2,1,3H3,(H,11,12);1-2H3/t8-;/m0./s1.
What are the key properties of (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane?
(2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane has a molecular weight of 206.29 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,8-dimethyl-3-methylidene-4H-pyrido[3,2-b][1,4]oxazine;ethane is sourced from PubChem (CID 163292265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).