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

C24H21BrN2O5 — CID 3536318

IUPAC7-bromo-2-(2-hydroxypropyl)-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)N2CC(C)O
InChIInChI=1S/C24H21BrN2O5/c1-3-10-26-17-7-5-4-6-16(17)24(23(26)31)19-20(29)15-11-14(25)8-9-18(15)32-21(19)22(30)27(24)12-13(2)28/h4-9,11,13,28H,3,10,12H2,1-2H3
InChIKeyWEECZLKMTRXNQN-UHFFFAOYSA-N
MW497.35 g/mol
LogP3.39
Rot. Bonds4

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

7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 3536318) has the molecular formula C24H21BrN2O5 and a molecular weight of 497.35 g/mol. Its IUPAC name is 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID3536318
Molecular FormulaC24H21BrN2O5
Molecular Weight497.35 g/mol
Exact Mass496.06
IUPAC Name7-bromo-2-(2-hydroxypropyl)-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)N2CC(C)O
InChIInChI=1S/C24H21BrN2O5/c1-3-10-26-17-7-5-4-6-16(17)24(23(26)31)19-20(29)15-11-14(25)8-9-18(15)32-21(19)22(30)27(24)12-13(2)28/h4-9,11,13,28H,3,10,12H2,1-2H3
InChIKeyWEECZLKMTRXNQN-UHFFFAOYSA-N
XLogP3.39
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 3536318) is 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-bromo-2-(2-hydroxypropyl)-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)N2CC(C)O.
What is the InChIKey of 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is WEECZLKMTRXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O5/c1-3-10-26-17-7-5-4-6-16(17)24(23(26)31)19-20(29)15-11-14(25)8-9-18(15)32-21(19)22(30)27(24)12-13(2)28/h4-9,11,13,28H,3,10,12H2,1-2H3.
What are the key properties of 7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-bromo-2-(2-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 497.35 g/mol, XLogP of 3.39, 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-hydroxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 3536318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).