3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one

C16H13NO6 — CID 3155878

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc(C2NC(=O)C(O)=C2C(=O)c2ccco2)ccc1O
InChIInChI=1S/C16H13NO6/c1-22-11-7-8(4-5-9(11)18)13-12(15(20)16(21)17-13)14(19)10-3-2-6-23-10/h2-7,13,18,20H,1H3,(H,17,21)
InChIKeyPXFIZQLMDJLYNI-UHFFFAOYSA-N
MW315.28 g/mol
LogP1.86
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one (PubChem CID 3155878) has the molecular formula C16H13NO6 and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
PubChem CID3155878
Molecular FormulaC16H13NO6
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc(C2NC(=O)C(O)=C2C(=O)c2ccco2)ccc1O
InChIInChI=1S/C16H13NO6/c1-22-11-7-8(4-5-9(11)18)13-12(15(20)16(21)17-13)14(19)10-3-2-6-23-10/h2-7,13,18,20H,1H3,(H,17,21)
InChIKeyPXFIZQLMDJLYNI-UHFFFAOYSA-N
XLogP1.86
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one (CID 3155878) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one is COc1cc(C2NC(=O)C(O)=C2C(=O)c2ccco2)ccc1O.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is PXFIZQLMDJLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO6/c1-22-11-7-8(4-5-9(11)18)13-12(15(20)16(21)17-13)14(19)10-3-2-6-23-10/h2-7,13,18,20H,1H3,(H,17,21).
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 315.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 3155878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).