3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C34H36N2O6 — CID 146201184

IUPAC3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C34H36N2O6/c1-23-21-33(41-29(23)37)25-15-9-11-17-27(25)35(31(33)39)19-13-7-5-3-4-6-8-14-20-36-28-18-12-10-16-26(28)34(32(36)40)22-24(2)30(38)42-34/h9-12,15-18H,1-8,13-14,19-22H2
InChIKeyCFYSFFVMXJHJDY-UHFFFAOYSA-N
MW568.67 g/mol
LogP5.60
Rot. Bonds11

About 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione

3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 146201184) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID146201184
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Name3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C34H36N2O6/c1-23-21-33(41-29(23)37)25-15-9-11-17-27(25)35(31(33)39)19-13-7-5-3-4-6-8-14-20-36-28-18-12-10-16-26(28)34(32(36)40)22-24(2)30(38)42-34/h9-12,15-18H,1-8,13-14,19-22H2
InChIKeyCFYSFFVMXJHJDY-UHFFFAOYSA-N
XLogP5.60
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 55.60
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-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 146201184) is 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is CFYSFFVMXJHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O6/c1-23-21-33(41-29(23)37)25-15-9-11-17-27(25)35(31(33)39)19-13-7-5-3-4-6-8-14-20-36-28-18-12-10-16-26(28)34(32(36)40)22-24(2)30(38)42-34/h9-12,15-18H,1-8,13-14,19-22H2.
What are the key properties of 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 568.67 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 146201184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).