3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C30H28N2O6 — CID 135172897

IUPAC3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C30H28N2O6/c1-19-17-29(37-25(19)33)21-11-5-7-13-23(21)31(27(29)35)15-9-3-4-10-16-32-24-14-8-6-12-22(24)30(28(32)36)18-20(2)26(34)38-30/h5-8,11-14H,1-4,9-10,15-18H2
InChIKeyAFKSRWCHKUSNJZ-UHFFFAOYSA-N
MW512.56 g/mol
LogP4.04
Rot. Bonds7

About 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione

3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 135172897) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID135172897
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC Name3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C30H28N2O6/c1-19-17-29(37-25(19)33)21-11-5-7-13-23(21)31(27(29)35)15-9-3-4-10-16-32-24-14-8-6-12-22(24)30(28(32)36)18-20(2)26(34)38-30/h5-8,11-14H,1-4,9-10,15-18H2
InChIKeyAFKSRWCHKUSNJZ-UHFFFAOYSA-N
XLogP4.04
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 54.04
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-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 135172897) is 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is AFKSRWCHKUSNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-19-17-29(37-25(19)33)21-11-5-7-13-23(21)31(27(29)35)15-9-3-4-10-16-32-24-14-8-6-12-22(24)30(28(32)36)18-20(2)26(34)38-30/h5-8,11-14H,1-4,9-10,15-18H2.
What are the key properties of 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 512.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 135172897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).