spiro[1,3-dioxole-2,3'-indole]-5'-amine

C10H8N2O2 — CID 151258718

IUPACspiro[1,3-dioxole-2,3'-indole]-5'-amine
SMILESNc1ccc2c(c1)C1(C=N2)OC=CO1
InChIInChI=1S/C10H8N2O2/c11-7-1-2-9-8(5-7)10(6-12-9)13-3-4-14-10/h1-6H,11H2
InChIKeyNTXDYPXWFHTWKH-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.66
Rot. Bonds

About spiro[1,3-dioxole-2,3'-indole]-5'-amine

spiro[1,3-dioxole-2,3'-indole]-5'-amine (PubChem CID 151258718) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is spiro[1,3-dioxole-2,3'-indole]-5'-amine.

Molecular Properties

Compound Namespiro[1,3-dioxole-2,3'-indole]-5'-amine
PubChem CID151258718
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namespiro[1,3-dioxole-2,3'-indole]-5'-amine
SMILESNc1ccc2c(c1)C1(C=N2)OC=CO1
InChIInChI=1S/C10H8N2O2/c11-7-1-2-9-8(5-7)10(6-12-9)13-3-4-14-10/h1-6H,11H2
InChIKeyNTXDYPXWFHTWKH-UHFFFAOYSA-N
XLogP1.66
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze spiro[1,3-dioxole-2,3'-indole]-5'-amine 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 spiro[1,3-dioxole-2,3'-indole]-5'-amine?
The IUPAC name of spiro[1,3-dioxole-2,3'-indole]-5'-amine (CID 151258718) is spiro[1,3-dioxole-2,3'-indole]-5'-amine.
What is the SMILES notation for spiro[1,3-dioxole-2,3'-indole]-5'-amine?
The canonical SMILES for spiro[1,3-dioxole-2,3'-indole]-5'-amine is Nc1ccc2c(c1)C1(C=N2)OC=CO1.
What is the InChIKey of spiro[1,3-dioxole-2,3'-indole]-5'-amine?
The InChIKey is NTXDYPXWFHTWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-7-1-2-9-8(5-7)10(6-12-9)13-3-4-14-10/h1-6H,11H2.
What are the key properties of spiro[1,3-dioxole-2,3'-indole]-5'-amine?
spiro[1,3-dioxole-2,3'-indole]-5'-amine has a molecular weight of 188.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxole-2,3'-indole]-5'-amine is sourced from PubChem (CID 151258718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).