11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione

C13H15N3O5 — CID 167281978

IUPAC11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2NC2CC3(CCN12)OCCO3
InChIInChI=1S/C13H15N3O5/c17-8-1-3-16-10(11(8)18)12(19)15-4-2-13(7-9(15)14-16)20-5-6-21-13/h1,3,9,14,18H,2,4-7H2
InChIKeyJOBBPHURQXHSKI-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.58
Rot. Bonds

About 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione

11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione (PubChem CID 167281978) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione.

Molecular Properties

Compound Name11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione
PubChem CID167281978
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2NC2CC3(CCN12)OCCO3
InChIInChI=1S/C13H15N3O5/c17-8-1-3-16-10(11(8)18)12(19)15-4-2-13(7-9(15)14-16)20-5-6-21-13/h1,3,9,14,18H,2,4-7H2
InChIKeyJOBBPHURQXHSKI-UHFFFAOYSA-N
XLogP-0.58
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione?
The IUPAC name of 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione (CID 167281978) is 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione.
What is the SMILES notation for 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione?
The canonical SMILES for 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione is O=C1c2c(O)c(=O)ccn2NC2CC3(CCN12)OCCO3.
What is the InChIKey of 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione?
The InChIKey is JOBBPHURQXHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-8-1-3-16-10(11(8)18)12(19)15-4-2-13(7-9(15)14-16)20-5-6-21-13/h1,3,9,14,18H,2,4-7H2.
What are the key properties of 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione?
11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione has a molecular weight of 293.28 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyspiro[1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,2'-1,3-dioxolane]-9,12-dione is sourced from PubChem (CID 167281978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).