(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C29H24N2O5 — CID 2234486

IUPAC(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccc(OC)cc1
InChIInChI=1S/C29H24N2O5/c1-3-30-22-10-6-5-9-21(22)29(28(30)34)24-25(32)20-8-4-7-11-23(20)36-26(24)27(33)31(29)17-16-18-12-14-19(35-2)15-13-18/h4-15H,3,16-17H2,1-2H3/t29-/m0/s1
InChIKeyQRNJQRZTIUZJRB-LJAQVGFWSA-N
MW480.52 g/mol
LogP4.11
Rot. Bonds5

About (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 2234486) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID2234486
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Name(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccc(OC)cc1
InChIInChI=1S/C29H24N2O5/c1-3-30-22-10-6-5-9-21(22)29(28(30)34)24-25(32)20-8-4-7-11-23(20)36-26(24)27(33)31(29)17-16-18-12-14-19(35-2)15-13-18/h4-15H,3,16-17H2,1-2H3/t29-/m0/s1
InChIKeyQRNJQRZTIUZJRB-LJAQVGFWSA-N
XLogP4.11
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 2234486) is (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccc(OC)cc1.
What is the InChIKey of (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is QRNJQRZTIUZJRB-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-3-30-22-10-6-5-9-21(22)29(28(30)34)24-25(32)20-8-4-7-11-23(20)36-26(24)27(33)31(29)17-16-18-12-14-19(35-2)15-13-18/h4-15H,3,16-17H2,1-2H3/t29-/m0/s1.
What are the key properties of (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 480.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-ethyl-2-[2-(4-methoxyphenyl)ethyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 2234486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).