3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one

C21H20N2O5 — CID 108646355

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O5/c1-27-10-5-9-23-18(14-12-22-15-7-3-2-6-13(14)15)17(20(25)21(23)26)19(24)16-8-4-11-28-16/h2-4,6-8,11-12,18,22,25H,5,9-10H2,1H3
InChIKeyJYBJWQZBTLNBFJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.38
Rot. Bonds7

About 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one (PubChem CID 108646355) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
PubChem CID108646355
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O5/c1-27-10-5-9-23-18(14-12-22-15-7-3-2-6-13(14)15)17(20(25)21(23)26)19(24)16-8-4-11-28-16/h2-4,6-8,11-12,18,22,25H,5,9-10H2,1H3
InChIKeyJYBJWQZBTLNBFJ-UHFFFAOYSA-N
XLogP3.38
TPSA95.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614627
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 661728
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 46949084
3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662784
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108680881
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108620962
(2R)-2-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7274646
3-(furan-2-carbonyl)-4-hydroxy-2-naphthalen-1-yl-1-propyl-2H-pyrrol-5-one
CID 108637537
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one (CID 108646355) is 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The InChIKey is JYBJWQZBTLNBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-10-5-9-23-18(14-12-22-15-7-3-2-6-13(14)15)17(20(25)21(23)26)19(24)16-8-4-11-28-16/h2-4,6-8,11-12,18,22,25H,5,9-10H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one has a molecular weight of 380.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108646355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).