Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C₁₃H₂₂N₂O — CID 153397819

About Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 153397819) has the molecular formula C₁₃H₂₂N₂O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

• Compound Name: Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
• PubChem CID: 153397819
• Molecular Formula: C₁₃H₂₂N₂O
• Molecular Weight: 222.33 g/mol
• Exact Mass: 222.17
• IUPAC Name: ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
• SMILES: CC.Cc1c(C(C)C)cnc2c1NCCO2
• InChI: InChI=1S/C11H16N2O.C2H6/c1-7(2)9-6-13-11-10(8(9)3)12-4-5-14-11;1-2/h6-7,12H,4-5H2,1-3H3;1-2H3
• InChIKey: SZCYNPIEQBUKDD-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 34.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.33
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?

The IUPAC name of Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 153397819) is ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

What is the SMILES notation for Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?

The canonical SMILES for Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is CC.Cc1c(C(C)C)cnc2c1NCCO2.

What is the InChIKey of Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?

The InChIKey is SZCYNPIEQBUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-7(2)9-6-13-11-10(8(9)3)12-4-5-14-11;1-2/h6-7,12H,4-5H2,1-3H3;1-2H3.

What are the key properties of Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?

Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 222.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 153397819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153397819 — identifiers, structure, computed properties (public domain)

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