(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one

C15H13NO4 — CID 134940522

IUPAC(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccco2)O1
InChIInChI=1S/C15H13NO4/c17-11-5-2-1-4-10(11)16-15(12-6-3-9-19-12)13-7-8-14(18)20-13/h1-9,13,15-17H/t13-,15+/m1/s1
InChIKeyUKADRWUCZWXZJL-HIFRSBDPSA-N
MW271.27 g/mol
LogP2.62
Rot. Bonds4

About (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one

(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one (PubChem CID 134940522) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one
PubChem CID134940522
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccco2)O1
InChIInChI=1S/C15H13NO4/c17-11-5-2-1-4-10(11)16-15(12-6-3-9-19-12)13-7-8-14(18)20-13/h1-9,13,15-17H/t13-,15+/m1/s1
InChIKeyUKADRWUCZWXZJL-HIFRSBDPSA-N
XLogP2.62
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
2-[furan-2-yl-(2-hydroxyphenyl)methyl]phenol
CID 23341330
3-hydroxypyran-2-one;iron
CID 67120749
5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one
CID 164684151
anilino(furan-2-yl)methanol
CID 143292657
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
(2S)-2-[(R)-(4-bromoanilino)-(2,4-dimethoxyphenyl)methyl]-2H-furan-5-one
CID 134839260
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
10-[1-(furan-2-yl)prop-2-ynyl]-10H-anthracen-9-one
CID 175155092
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one (CID 134940522) is (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one is O=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccco2)O1.
What is the InChIKey of (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The InChIKey is UKADRWUCZWXZJL-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H13NO4/c17-11-5-2-1-4-10(11)16-15(12-6-3-9-19-12)13-7-8-14(18)20-13/h1-9,13,15-17H/t13-,15+/m1/s1.
What are the key properties of (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one?
(2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one has a molecular weight of 271.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-furan-2-yl-(2-hydroxyanilino)methyl]-2H-furan-5-one is sourced from PubChem (CID 134940522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).