3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C20H22N2O5 — CID 108628215

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C20H22N2O5/c1-13(2)26-12-6-10-22-17(14-7-3-4-9-21-14)16(19(24)20(22)25)18(23)15-8-5-11-27-15/h3-5,7-9,11,13,17,24H,6,10,12H2,1-2H3
InChIKeyWWDWLNIFOWWLAQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.07
Rot. Bonds8

About 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108628215) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108628215
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C20H22N2O5/c1-13(2)26-12-6-10-22-17(14-7-3-4-9-21-14)16(19(24)20(22)25)18(23)15-8-5-11-27-15/h3-5,7-9,11,13,17,24H,6,10,12H2,1-2H3
InChIKeyWWDWLNIFOWWLAQ-UHFFFAOYSA-N
XLogP3.07
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618033
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108610911
4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 5306831
diethyl-[2-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium
CID 6988293
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628231
4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625157
4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625175
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108656950
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108612179
4-hydroxy-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625161

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108628215) is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one is CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is WWDWLNIFOWWLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(2)26-12-6-10-22-17(14-7-3-4-9-21-14)16(19(24)20(22)25)18(23)15-8-5-11-27-15/h3-5,7-9,11,13,17,24H,6,10,12H2,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 370.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108628215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).