4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one

C23H22N4O — CID 126545523

IUPAC4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)c2ccccc21
InChIInChI=1S/C23H22N4O/c24-10-5-11-27-14-19(16-7-2-4-9-21(16)27)22-18(13-26-23(22)28)17-12-25-20-8-3-1-6-15(17)20/h1-4,6-9,12,14,25H,5,10-11,13,24H2,(H,26,28)
InChIKeyIEEXBUOYPJQQLX-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.51
Rot. Bonds5

About 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one

4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one (PubChem CID 126545523) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
PubChem CID126545523
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)c2ccccc21
InChIInChI=1S/C23H22N4O/c24-10-5-11-27-14-19(16-7-2-4-9-21(16)27)22-18(13-26-23(22)28)17-12-25-20-8-3-1-6-15(17)20/h1-4,6-9,12,14,25H,5,10-11,13,24H2,(H,26,28)
InChIKeyIEEXBUOYPJQQLX-UHFFFAOYSA-N
XLogP3.51
TPSA75.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one (CID 126545523) is 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one is NCCCn1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)c2ccccc21.
What is the InChIKey of 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is IEEXBUOYPJQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-10-5-11-27-14-19(16-7-2-4-9-21(16)27)22-18(13-26-23(22)28)17-12-25-20-8-3-1-6-15(17)20/h1-4,6-9,12,14,25H,5,10-11,13,24H2,(H,26,28).
What are the key properties of 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 370.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropyl)indol-3-yl]-3-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 126545523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).