6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine

C10H16N2O — CID 122696638

IUPAC6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)C1=CC=C2OCCNC2N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-3-4-9-10(12-8)11-5-6-13-9/h3-4,7,10-12H,5-6H2,1-2H3
InChIKeyBFOBDJULRDIVDI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds1

About 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine

6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 122696638) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID122696638
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)C1=CC=C2OCCNC2N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-3-4-9-10(12-8)11-5-6-13-9/h3-4,7,10-12H,5-6H2,1-2H3
InChIKeyBFOBDJULRDIVDI-UHFFFAOYSA-N
XLogP0.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine (CID 122696638) is 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine is CC(C)C1=CC=C2OCCNC2N1.
What is the InChIKey of 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is BFOBDJULRDIVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8-3-4-9-10(12-8)11-5-6-13-9/h3-4,7,10-12H,5-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine?
6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 180.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 122696638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).