8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol

C9H12N2O2 — CID 91348622

IUPAC8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol
SMILESCCc1ccnc2c1OCC(O)N2
InChIInChI=1S/C9H12N2O2/c1-2-6-3-4-10-9-8(6)13-5-7(12)11-9/h3-4,7,12H,2,5H2,1H3,(H,10,11)
InChIKeyMAOROPMHBQOAHL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds1

About 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol

8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol (PubChem CID 91348622) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol.

Molecular Properties

Compound Name8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol
PubChem CID91348622
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol
SMILESCCc1ccnc2c1OCC(O)N2
InChIInChI=1S/C9H12N2O2/c1-2-6-3-4-10-9-8(6)13-5-7(12)11-9/h3-4,7,12H,2,5H2,1H3,(H,10,11)
InChIKeyMAOROPMHBQOAHL-UHFFFAOYSA-N
XLogP0.77
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol?
The IUPAC name of 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol (CID 91348622) is 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol.
What is the SMILES notation for 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol?
The canonical SMILES for 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol is CCc1ccnc2c1OCC(O)N2.
What is the InChIKey of 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol?
The InChIKey is MAOROPMHBQOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-3-4-10-9-8(6)13-5-7(12)11-9/h3-4,7,12H,2,5H2,1H3,(H,10,11).
What are the key properties of 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol?
8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol has a molecular weight of 180.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-ol is sourced from PubChem (CID 91348622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).