1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione

C27H30N2O2 — CID 132544480

IUPAC1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
SMILESCCCCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C27H30N2O2/c1-5-6-13-29-22-10-8-7-9-18(22)27(25(29)31)19-14-17(2)11-12-20(19)28-21-15-26(3,4)16-23(30)24(21)27/h7-12,14,28H,5-6,13,15-16H2,1-4H3
InChIKeyGYDLPTPTODJLOU-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.50
Rot. Bonds3

About 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione

1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione (PubChem CID 132544480) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
PubChem CID132544480
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
SMILESCCCCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C27H30N2O2/c1-5-6-13-29-22-10-8-7-9-18(22)27(25(29)31)19-14-17(2)11-12-20(19)28-21-15-26(3,4)16-23(30)24(21)27/h7-12,14,28H,5-6,13,15-16H2,1-4H3
InChIKeyGYDLPTPTODJLOU-UHFFFAOYSA-N
XLogP5.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544474
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
5-butyl-3,3-dimethyl-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015905
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
ethyl 2'-amino-1'-(2-chlorophenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858278
(2E,6E)-2,6-bis(1-butyl-3,3-dimethylindol-2-ylidene)cyclohexan-1-one
CID 58659962
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
2-[(6S)-9,9-dimethyl-6-(4-methylphenyl)-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-N-methylacetamide
CID 41090295
(1E,3E)-1,3-bis(1-butyl-3,3-dimethylindol-2-ylidene)inden-2-one
CID 59869602
1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
CID 122231208
7'-bromo-2,3,9,9-tetramethyl-1'-[(3-methylphenyl)methyl]spiro[5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-6,3'-indole]-2',7-dione
CID 132604824

Frequently Asked Questions

What is the IUPAC name of 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The IUPAC name of 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione (CID 132544480) is 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione is CCCCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)Nc3ccc(C)cc32)c2ccccc21.
What is the InChIKey of 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
The InChIKey is GYDLPTPTODJLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-5-6-13-29-22-10-8-7-9-18(22)27(25(29)31)19-14-17(2)11-12-20(19)28-21-15-26(3,4)16-23(30)24(21)27/h7-12,14,28H,5-6,13,15-16H2,1-4H3.
What are the key properties of 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione?
1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione has a molecular weight of 414.55 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione is sourced from PubChem (CID 132544480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).