1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

C11H18N4O2 — CID 165418303

IUPAC1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C11H18N4O2/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyDEDHTZHABDXSOJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.05
Rot. Bonds1

About 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (PubChem CID 165418303) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
PubChem CID165418303
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C11H18N4O2/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyDEDHTZHABDXSOJ-UHFFFAOYSA-N
XLogP-0.05
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (CID 165418303) is 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is CC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.
What is the InChIKey of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The InChIKey is DEDHTZHABDXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one has a molecular weight of 238.29 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is sourced from PubChem (CID 165418303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).