1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one

C19H18FNO6 — CID 22937833

IUPAC1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC(O)CO)C1)c1occc1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO6/c20-13-3-1-11(2-4-13)7-12-5-6-27-18(12)16(24)15-9-21(8-14(23)10-22)19(26)17(15)25/h1-6,14,22-23,25H,7-10H2
InChIKeyNNGLEWACXAZOJV-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.20
Rot. Bonds7

About 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one

1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 22937833) has the molecular formula C19H18FNO6 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID22937833
Molecular FormulaC19H18FNO6
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC(O)CO)C1)c1occc1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO6/c20-13-3-1-11(2-4-13)7-12-5-6-27-18(12)16(24)15-9-21(8-14(23)10-22)19(26)17(15)25/h1-6,14,22-23,25H,7-10H2
InChIKeyNNGLEWACXAZOJV-UHFFFAOYSA-N
XLogP1.20
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (CID 22937833) is 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC(O)CO)C1)c1occc1Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is NNGLEWACXAZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6/c20-13-3-1-11(2-4-13)7-12-5-6-27-18(12)16(24)15-9-21(8-14(23)10-22)19(26)17(15)25/h1-6,14,22-23,25H,7-10H2.
What are the key properties of 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 375.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 22937833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).