3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C33H34N2O6 — CID 146201205

IUPAC3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C33H34N2O6/c1-22-20-32(40-28(22)36)24-14-8-10-16-26(24)34(30(32)38)18-12-6-4-3-5-7-13-19-35-27-17-11-9-15-25(27)33(31(35)39)21-23(2)29(37)41-33/h8-11,14-17H,1-7,12-13,18-21H2
InChIKeySDCRWKKQIZMOHJ-UHFFFAOYSA-N
MW554.64 g/mol
LogP5.21
Rot. Bonds10

About 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione

3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 146201205) has the molecular formula C33H34N2O6 and a molecular weight of 554.64 g/mol. Its IUPAC name is 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID146201205
Molecular FormulaC33H34N2O6
Molecular Weight554.64 g/mol
Exact Mass554.24
IUPAC Name3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C33H34N2O6/c1-22-20-32(40-28(22)36)24-14-8-10-16-26(24)34(30(32)38)18-12-6-4-3-5-7-13-19-35-27-17-11-9-15-25(27)33(31(35)39)21-23(2)29(37)41-33/h8-11,14-17H,1-7,12-13,18-21H2
InChIKeySDCRWKKQIZMOHJ-UHFFFAOYSA-N
XLogP5.21
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 146201205) is 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is SDCRWKKQIZMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O6/c1-22-20-32(40-28(22)36)24-14-8-10-16-26(24)34(30(32)38)18-12-6-4-3-5-7-13-19-35-27-17-11-9-15-25(27)33(31(35)39)21-23(2)29(37)41-33/h8-11,14-17H,1-7,12-13,18-21H2.
What are the key properties of 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 554.64 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 146201205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).