2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile

C11H11N3O2 — CID 116990406

IUPAC2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile
SMILESCC(C)(C#N)C1Oc2cccnc2NC1=O
InChIInChI=1S/C11H11N3O2/c1-11(2,6-12)8-10(15)14-9-7(16-8)4-3-5-13-9/h3-5,8H,1-2H3,(H,13,14,15)
InChIKeyAQFIKDIDQGUZEV-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds1

About 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile

2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile (PubChem CID 116990406) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile
PubChem CID116990406
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile
SMILESCC(C)(C#N)C1Oc2cccnc2NC1=O
InChIInChI=1S/C11H11N3O2/c1-11(2,6-12)8-10(15)14-9-7(16-8)4-3-5-13-9/h3-5,8H,1-2H3,(H,13,14,15)
InChIKeyAQFIKDIDQGUZEV-UHFFFAOYSA-N
XLogP1.33
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile (CID 116990406) is 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile is CC(C)(C#N)C1Oc2cccnc2NC1=O.
What is the InChIKey of 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile?
The InChIKey is AQFIKDIDQGUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-11(2,6-12)8-10(15)14-9-7(16-8)4-3-5-13-9/h3-5,8H,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile?
2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile has a molecular weight of 217.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile is sourced from PubChem (CID 116990406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).