3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C24H19N3O2 — CID 5327735

IUPAC3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-26-13-16(14-7-2-4-9-17(14)26)21-22(24(29)25-23(21)28)20-15-8-3-5-10-18(15)27-12-6-11-19(20)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,25,28,29)
InChIKeyQJISCZMEOOQPLS-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.65
Rot. Bonds2

About 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327735) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327735
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-26-13-16(14-7-2-4-9-17(14)26)21-22(24(29)25-23(21)28)20-15-8-3-5-10-18(15)27-12-6-11-19(20)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,25,28,29)
InChIKeyQJISCZMEOOQPLS-UHFFFAOYSA-N
XLogP3.65
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327735) is 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCC4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is QJISCZMEOOQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-26-13-16(14-7-2-4-9-17(14)26)21-22(24(29)25-23(21)28)20-15-8-3-5-10-18(15)27-12-6-11-19(20)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,25,28,29).
What are the key properties of 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 381.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).