3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione

C18H15N3O3 — CID 23650713

IUPAC3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4ccc[nH]4)C(=O)N(C)C3=O)c2c1
InChIInChI=1S/C18H15N3O3/c1-21-17(22)15(16(18(21)23)14-4-3-7-19-14)12-9-20-13-6-5-10(24-2)8-11(12)13/h3-9,19-20H,1-2H3
InChIKeyLRRZVUISLSGCFT-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.41
Rot. Bonds3

About 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione

3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (PubChem CID 23650713) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
PubChem CID23650713
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4ccc[nH]4)C(=O)N(C)C3=O)c2c1
InChIInChI=1S/C18H15N3O3/c1-21-17(22)15(16(18(21)23)14-4-3-7-19-14)12-9-20-13-6-5-10(24-2)8-11(12)13/h3-9,19-20H,1-2H3
InChIKeyLRRZVUISLSGCFT-UHFFFAOYSA-N
XLogP2.41
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 10661694
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
1-[(4-tert-butylphenyl)methyl]-3,4-bis(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149578
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione (CID 23650713) is 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is COc1ccc2[nH]cc(C3=C(c4ccc[nH]4)C(=O)N(C)C3=O)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
The InChIKey is LRRZVUISLSGCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-17(22)15(16(18(21)23)14-4-3-7-19-14)12-9-20-13-6-5-10(24-2)8-11(12)13/h3-9,19-20H,1-2H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione?
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione has a molecular weight of 321.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 23650713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).