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

C30H26N2O4 — CID 3441762

IUPAC7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C30H26N2O4/c1-3-16-31-23-12-8-7-11-22(23)30(29(31)35)25-26(33)21-18-19(2)13-14-24(21)36-27(25)28(34)32(30)17-15-20-9-5-4-6-10-20/h4-14,18H,3,15-17H2,1-2H3
InChIKeyFPWULCDRSONDDH-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.80
Rot. Bonds5

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

7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 3441762) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID3441762
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C30H26N2O4/c1-3-16-31-23-12-8-7-11-22(23)30(29(31)35)25-26(33)21-18-19(2)13-14-24(21)36-27(25)28(34)32(30)17-15-20-9-5-4-6-10-20/h4-14,18H,3,15-17H2,1-2H3
InChIKeyFPWULCDRSONDDH-UHFFFAOYSA-N
XLogP4.80
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione with MolForge

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Related Compounds

7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
(1S)-6,7-dimethyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27309202
7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869372
7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869422
1'-benzyl-2-butyl-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868824
2-butyl-7-methyl-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868869
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868251
(1R)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871817
7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3842308
1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869373

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 3441762) is 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCc1ccccc1.
What is the InChIKey of 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is FPWULCDRSONDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-3-16-31-23-12-8-7-11-22(23)30(29(31)35)25-26(33)21-18-19(2)13-14-24(21)36-27(25)28(34)32(30)17-15-20-9-5-4-6-10-20/h4-14,18H,3,15-17H2,1-2H3.
What are the key properties of 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 478.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 3441762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).