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

C27H22N2O6 — CID 135172899

IUPAC3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C27H22N2O6/c1-16-14-26(34-22(16)30)18-8-3-5-10-20(18)28(24(26)32)12-7-13-29-21-11-6-4-9-19(21)27(25(29)33)15-17(2)23(31)35-27/h3-6,8-11H,1-2,7,12-15H2
InChIKeyMAJYGNYMOANPNU-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.87
Rot. Bonds4

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

3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 135172899) has the molecular formula C27H22N2O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID135172899
Molecular FormulaC27H22N2O6
Molecular Weight470.48 g/mol
Exact Mass470.15
IUPAC Name3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C27H22N2O6/c1-16-14-26(34-22(16)30)18-8-3-5-10-20(18)28(24(26)32)12-7-13-29-21-11-6-4-9-19(21)27(25(29)33)15-17(2)23(31)35-27/h3-6,8-11H,1-2,7,12-15H2
InChIKeyMAJYGNYMOANPNU-UHFFFAOYSA-N
XLogP2.87
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.87
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-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 135172899) is 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is MAJYGNYMOANPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O6/c1-16-14-26(34-22(16)30)18-8-3-5-10-20(18)28(24(26)32)12-7-13-29-21-11-6-4-9-19(21)27(25(29)33)15-17(2)23(31)35-27/h3-6,8-11H,1-2,7,12-15H2.
What are the key properties of 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 470.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 135172899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).