5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C15H16N4O4 — CID 71583900

IUPAC5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESCC(C)(O)c1cn(-c2ccc3c(c2)C2(OCCO2)C(=O)N3)nn1
InChIInChI=1S/C15H16N4O4/c1-14(2,21)12-8-19(18-17-12)9-3-4-11-10(7-9)15(13(20)16-11)22-5-6-23-15/h3-4,7-8,21H,5-6H2,1-2H3,(H,16,20)
InChIKeyPTHLVOCPPYFRDY-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.65
Rot. Bonds2

About 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 71583900) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID71583900
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESCC(C)(O)c1cn(-c2ccc3c(c2)C2(OCCO2)C(=O)N3)nn1
InChIInChI=1S/C15H16N4O4/c1-14(2,21)12-8-19(18-17-12)9-3-4-11-10(7-9)15(13(20)16-11)22-5-6-23-15/h3-4,7-8,21H,5-6H2,1-2H3,(H,16,20)
InChIKeyPTHLVOCPPYFRDY-UHFFFAOYSA-N
XLogP0.65
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one 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 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 71583900) is 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is CC(C)(O)c1cn(-c2ccc3c(c2)C2(OCCO2)C(=O)N3)nn1.
What is the InChIKey of 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is PTHLVOCPPYFRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-14(2,21)12-8-19(18-17-12)9-3-4-11-10(7-9)15(13(20)16-11)22-5-6-23-15/h3-4,7-8,21H,5-6H2,1-2H3,(H,16,20).
What are the key properties of 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 316.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[4-(2-hydroxypropan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 71583900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).