3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione

C32H34N4O4 — CID 162697024

IUPAC3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione
SMILESC=C1CC2(NC1=O)C(=O)N(CCCCCCCCN1C(=O)C3(CC(=C)C(=O)N3)c3ccccc31)c1ccccc12
InChIInChI=1S/C32H34N4O4/c1-21-19-31(33-27(21)37)23-13-7-9-15-25(23)35(29(31)39)17-11-5-3-4-6-12-18-36-26-16-10-8-14-24(26)32(30(36)40)20-22(2)28(38)34-32/h7-10,13-16H,1-6,11-12,17-20H2,(H,33,37)(H,34,38)
InChIKeyQLWVBWNBULGLFO-UHFFFAOYSA-N
MW538.65 g/mol
LogP3.96
Rot. Bonds9

About 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione

3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione (PubChem CID 162697024) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione
PubChem CID162697024
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC Name3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione
SMILESC=C1CC2(NC1=O)C(=O)N(CCCCCCCCN1C(=O)C3(CC(=C)C(=O)N3)c3ccccc31)c1ccccc12
InChIInChI=1S/C32H34N4O4/c1-21-19-31(33-27(21)37)23-13-7-9-15-25(23)35(29(31)39)17-11-5-3-4-6-12-18-36-26-16-10-8-14-24(26)32(30(36)40)20-22(2)28(38)34-32/h7-10,13-16H,1-6,11-12,17-20H2,(H,33,37)(H,34,38)
InChIKeyQLWVBWNBULGLFO-UHFFFAOYSA-N
XLogP3.96
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3'-methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)nonyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione
CID 162697018
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
3'-methylidene-1-[(Z)-7-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hept-4-enyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201221
1-[4-[3,3-bis(4-hydroxyphenyl)-2-oxoindol-1-yl]butyl]-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 169008050
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 723021
(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 41452929
1-(3-methoxypropyl)-3,3-dimethylindol-2-one
CID 66707162
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
2-amino-1'-pentylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
CID 135762324
1-(3-chloropropyl)-3-fluoro-3-methylindol-2-one
CID 66652531

Frequently Asked Questions

What is the IUPAC name of 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione (CID 162697024) is 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione is C=C1CC2(NC1=O)C(=O)N(CCCCCCCCN1C(=O)C3(CC(=C)C(=O)N3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The InChIKey is QLWVBWNBULGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-21-19-31(33-27(21)37)23-13-7-9-15-25(23)35(29(31)39)17-11-5-3-4-6-12-18-36-26-16-10-8-14-24(26)32(30(36)40)20-22(2)28(38)34-32/h7-10,13-16H,1-6,11-12,17-20H2,(H,33,37)(H,34,38).
What are the key properties of 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione?
3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione has a molecular weight of 538.65 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-pyrrolidine]-1-yl)octyl]spiro[indole-3,5'-pyrrolidine]-2,2'-dione is sourced from PubChem (CID 162697024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).