3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C26H20N2O6 — CID 135172898

IUPAC3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C26H20N2O6/c1-15-13-25(33-21(15)29)17-7-3-5-9-19(17)27(23(25)31)11-12-28-20-10-6-4-8-18(20)26(24(28)32)14-16(2)22(30)34-26/h3-10H,1-2,11-14H2
InChIKeyJVQDQTGAOBNENH-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.48
Rot. Bonds3

About 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione

3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 135172898) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID135172898
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Name3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C26H20N2O6/c1-15-13-25(33-21(15)29)17-7-3-5-9-19(17)27(23(25)31)11-12-28-20-10-6-4-8-18(20)26(24(28)32)14-16(2)22(30)34-26/h3-10H,1-2,11-14H2
InChIKeyJVQDQTGAOBNENH-UHFFFAOYSA-N
XLogP2.48
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 135172898) is 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is JVQDQTGAOBNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c1-15-13-25(33-21(15)29)17-7-3-5-9-19(17)27(23(25)31)11-12-28-20-10-6-4-8-18(20)26(24(28)32)14-16(2)22(30)34-26/h3-10H,1-2,11-14H2.
What are the key properties of 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 456.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 135172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).