1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione

C23H21BrN2O3 — CID 13008171

IUPAC1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione
SMILESCN1c2ccc(N3C(=O)CCC3=O)cc2C(C)(C)C12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C23H21BrN2O3/c1-22(2)17-13-16(26-20(27)8-9-21(26)28)5-6-18(17)25(3)23(22)11-10-14-12-15(24)4-7-19(14)29-23/h4-7,10-13H,8-9H2,1-3H3
InChIKeyYHEVDTJUJUPPLL-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.63
Rot. Bonds1

About 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione

1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione (PubChem CID 13008171) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione
PubChem CID13008171
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione
SMILESCN1c2ccc(N3C(=O)CCC3=O)cc2C(C)(C)C12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C23H21BrN2O3/c1-22(2)17-13-16(26-20(27)8-9-21(26)28)5-6-18(17)25(3)23(22)11-10-14-12-15(24)4-7-19(14)29-23/h4-7,10-13H,8-9H2,1-3H3
InChIKeyYHEVDTJUJUPPLL-UHFFFAOYSA-N
XLogP4.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione (CID 13008171) is 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione is CN1c2ccc(N3C(=O)CCC3=O)cc2C(C)(C)C12C=Cc1cc(Br)ccc1O2.
What is the InChIKey of 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione?
The InChIKey is YHEVDTJUJUPPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-22(2)17-13-16(26-20(27)8-9-21(26)28)5-6-18(17)25(3)23(22)11-10-14-12-15(24)4-7-19(14)29-23/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione?
1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione has a molecular weight of 453.34 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13008171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).