2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile

C11H10N4O2 — CID 137378653

IUPAC2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(C1)Oc1ncccc1NC2=O
InChIInChI=1S/C11H10N4O2/c12-7-15-5-3-11(6-15)10(16)14-8-2-1-4-13-9(8)17-11/h1-2,4H,3,5-6H2,(H,14,16)
InChIKeyVNNWQCNZXZGJPE-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.34
Rot. Bonds

About 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile

2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile (PubChem CID 137378653) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile.

Molecular Properties

Compound Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile
PubChem CID137378653
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(C1)Oc1ncccc1NC2=O
InChIInChI=1S/C11H10N4O2/c12-7-15-5-3-11(6-15)10(16)14-8-2-1-4-13-9(8)17-11/h1-2,4H,3,5-6H2,(H,14,16)
InChIKeyVNNWQCNZXZGJPE-UHFFFAOYSA-N
XLogP0.34
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

US10654853, Example 53
CID 137479920
US10654853, Example 69
CID 137479959
US10654853, Example 74
CID 137479964
US10654853, Example 52
CID 137480015
1H,2H,3H-pyrido(2,3-b)(1,4)oxazin-2-one
CID 15925988
US10654853, Example 51
CID 137479919
US10654853, Example 64
CID 137479938
US10654853, Example 50
CID 137479945
US10654853, Example 71
CID 137479973
US10654853, Example 54
CID 137479985
US10654853, Example 70
CID 137479999
US10654853, Example 143
CID 137480004

Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile?
The IUPAC name of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile (CID 137378653) is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile.
What is the SMILES notation for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile?
The canonical SMILES for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile is N#CN1CCC2(C1)Oc1ncccc1NC2=O.
What is the InChIKey of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile?
The InChIKey is VNNWQCNZXZGJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-7-15-5-3-11(6-15)10(16)14-8-2-1-4-13-9(8)17-11/h1-2,4H,3,5-6H2,(H,14,16).
What are the key properties of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile?
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile is sourced from PubChem (CID 137378653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).