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

C23H23NO6 — CID 108656950

IUPAC3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
SMILESCC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccco1
InChIInChI=1S/C23H23NO6/c1-14(2)28-12-6-10-24-20(17-9-5-11-29-17)19(22(26)23(24)27)21(25)18-13-15-7-3-4-8-16(15)30-18/h3-5,7-9,11,13-14,20,26H,6,10,12H2,1-2H3
InChIKeyZMMMOIAYRICGRZ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.42
Rot. Bonds8

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

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one (PubChem CID 108656950) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
PubChem CID108656950
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
SMILESCC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccco1
InChIInChI=1S/C23H23NO6/c1-14(2)28-12-6-10-24-20(17-9-5-11-29-17)19(22(26)23(24)27)21(25)18-13-15-7-3-4-8-16(15)30-18/h3-5,7-9,11,13-14,20,26H,6,10,12H2,1-2H3
InChIKeyZMMMOIAYRICGRZ-UHFFFAOYSA-N
XLogP4.42
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.42
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-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608274
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-propan-2-yloxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108601956
3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657121
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613168
3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628215
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618033
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108656085
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108651845
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate
CID 5171939
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 5164311

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one (CID 108656950) is 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one is CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccco1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one?
The InChIKey is ZMMMOIAYRICGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-14(2)28-12-6-10-24-20(17-9-5-11-29-17)19(22(26)23(24)27)21(25)18-13-15-7-3-4-8-16(15)30-18/h3-5,7-9,11,13-14,20,26H,6,10,12H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one has a molecular weight of 409.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108656950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).