1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C19H17NO6 — CID 108607001

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)C1c1ccco1
InChIInChI=1S/C19H17NO6/c1-2-12(21)16-17(14-4-3-7-24-14)20(19(23)18(16)22)11-5-6-13-15(10-11)26-9-8-25-13/h3-7,10,17,22H,2,8-9H2,1H3
InChIKeyBEEHEOMPTYLTFC-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108607001) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108607001
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)C1c1ccco1
InChIInChI=1S/C19H17NO6/c1-2-12(21)16-17(14-4-3-7-24-14)20(19(23)18(16)22)11-5-6-13-15(10-11)26-9-8-25-13/h3-7,10,17,22H,2,8-9H2,1H3
InChIKeyBEEHEOMPTYLTFC-UHFFFAOYSA-N
XLogP2.93
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108653344
1-(3,5-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108653689
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609255
1-(2,4-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655428
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598213
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108584077
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776
1-(1,3-benzodioxol-5-yl)-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108675767
1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108607091
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108607001) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)C1c1ccco1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is BEEHEOMPTYLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-2-12(21)16-17(14-4-3-7-24-14)20(19(23)18(16)22)11-5-6-13-15(10-11)26-9-8-25-13/h3-7,10,17,22H,2,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 355.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108607001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).