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

C13H22N2O — CID 153397819

IUPACethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCC.Cc1c(C(C)C)cnc2c1NCCO2
InChIInChI=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
InChIKeySZCYNPIEQBUKDD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.34
Rot. Bonds1

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 Nameethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID153397819
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCC.Cc1c(C(C)C)cnc2c1NCCO2
InChIInChI=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
InChIKeySZCYNPIEQBUKDD-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).