5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one

C19H14N2O4 — CID 170990560

IUPAC5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
SMILESCOc1cc(C2=NC(=O)C(c3c[nH]c4ccccc34)=C2)cc(O)c1O
InChIInChI=1S/C19H14N2O4/c1-25-17-7-10(6-16(22)18(17)23)15-8-12(19(24)21-15)13-9-20-14-5-3-2-4-11(13)14/h2-9,20,22-23H,1H3
InChIKeyKPQKHLCNKZHZDH-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.00
Rot. Bonds3

About 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one

5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one (PubChem CID 170990560) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one.

Molecular Properties

Compound Name5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
PubChem CID170990560
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
SMILESCOc1cc(C2=NC(=O)C(c3c[nH]c4ccccc34)=C2)cc(O)c1O
InChIInChI=1S/C19H14N2O4/c1-25-17-7-10(6-16(22)18(17)23)15-8-12(19(24)21-15)13-9-20-14-5-3-2-4-11(13)14/h2-9,20,22-23H,1H3
InChIKeyKPQKHLCNKZHZDH-UHFFFAOYSA-N
XLogP3.00
TPSA94.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
5-(1H-indol-3-yl)-3-methylpyrrol-2-one
CID 171488388
2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 11674379
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
CID 135883364
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78873903
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one?
The IUPAC name of 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one (CID 170990560) is 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one.
What is the SMILES notation for 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one?
The canonical SMILES for 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one is COc1cc(C2=NC(=O)C(c3c[nH]c4ccccc34)=C2)cc(O)c1O.
What is the InChIKey of 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one?
The InChIKey is KPQKHLCNKZHZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-25-17-7-10(6-16(22)18(17)23)15-8-12(19(24)21-15)13-9-20-14-5-3-2-4-11(13)14/h2-9,20,22-23H,1H3.
What are the key properties of 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one?
5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one has a molecular weight of 334.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one is sourced from PubChem (CID 170990560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).