3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione

C26H26N2O2 — CID 132544474

IUPAC3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
SMILESC=CCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-5-12-28-21-9-7-6-8-17(21)26(24(28)30)18-13-16(2)10-11-19(18)27-20-14-25(3,4)15-22(29)23(20)26/h5-11,13,27H,1,12,14-15H2,2-4H3
InChIKeyCHSIELHVHRFXPZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.88
Rot. Bonds2

About 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione

3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione (PubChem CID 132544474) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
PubChem CID132544474
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
SMILESC=CCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-5-12-28-21-9-7-6-8-17(21)26(24(28)30)18-13-16(2)10-11-19(18)27-20-14-25(3,4)15-22(29)23(20)26/h5-11,13,27H,1,12,14-15H2,2-4H3
InChIKeyCHSIELHVHRFXPZ-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544480
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 690354
(4S)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898398
(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
CID 28592883
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 723021
(3S)-2'-amino-6,6-dimethyl-2,4-dioxo-1-prop-2-enylspiro[5,7-dihydroindole-3,4'-chromene]-3'-carbonitrile
CID 2223994
ethyl 2'-amino-1'-(2-chlorophenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858278
(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
CID 706184
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The IUPAC name of 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione (CID 132544474) is 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione.
What is the SMILES notation for 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The canonical SMILES for 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione is C=CCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21.
What is the InChIKey of 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The InChIKey is CHSIELHVHRFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-5-12-28-21-9-7-6-8-17(21)26(24(28)30)18-13-16(2)10-11-19(18)27-20-14-25(3,4)15-22(29)23(20)26/h5-11,13,27H,1,12,14-15H2,2-4H3.
What are the key properties of 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione has a molecular weight of 398.51 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione is sourced from PubChem (CID 132544474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).