7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C23H19BrN2O5 — CID 3842308

IUPAC7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Br)cc3c1=O)C(=O)N2CCO
InChIInChI=1S/C23H19BrN2O5/c1-2-9-25-16-6-4-3-5-15(16)23(22(25)30)18-19(28)14-12-13(24)7-8-17(14)31-20(18)21(29)26(23)10-11-27/h3-8,12,27H,2,9-11H2,1H3
InChIKeyWUJVXEPIETUUJW-UHFFFAOYSA-N
MW483.32 g/mol
LogP3.00
Rot. Bonds4

About 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 3842308) has the molecular formula C23H19BrN2O5 and a molecular weight of 483.32 g/mol. Its IUPAC name is 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID3842308
Molecular FormulaC23H19BrN2O5
Molecular Weight483.32 g/mol
Exact Mass482.05
IUPAC Name7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Br)cc3c1=O)C(=O)N2CCO
InChIInChI=1S/C23H19BrN2O5/c1-2-9-25-16-6-4-3-5-15(16)23(22(25)30)18-19(28)14-12-13(24)7-8-17(14)31-20(18)21(29)26(23)10-11-27/h3-8,12,27H,2,9-11H2,1H3
InChIKeyWUJVXEPIETUUJW-UHFFFAOYSA-N
XLogP3.00
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3536318
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868190
7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4262004
7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3441762
(1S)-6,7-dimethyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27309202
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40849899
7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867762
7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868559
1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868251

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 3842308) is 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Br)cc3c1=O)C(=O)N2CCO.
What is the InChIKey of 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is WUJVXEPIETUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O5/c1-2-9-25-16-6-4-3-5-15(16)23(22(25)30)18-19(28)14-12-13(24)7-8-17(14)31-20(18)21(29)26(23)10-11-27/h3-8,12,27H,2,9-11H2,1H3.
What are the key properties of 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 483.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 3842308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).