4-amino-3-hydroxy-2-phenyl-2H-furan-5-one

C10H9NO3 — CID 71437125

IUPAC4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
SMILESNC1=C(O)C(c2ccccc2)OC1=O
InChIInChI=1S/C10H9NO3/c11-7-8(12)9(14-10(7)13)6-4-2-1-3-5-6/h1-5,9,12H,11H2
InChIKeyIOFHMKWXHFKPHD-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.01
Rot. Bonds1

About 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one

4-amino-3-hydroxy-2-phenyl-2H-furan-5-one (PubChem CID 71437125) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
PubChem CID71437125
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
SMILESNC1=C(O)C(c2ccccc2)OC1=O
InChIInChI=1S/C10H9NO3/c11-7-8(12)9(14-10(7)13)6-4-2-1-3-5-6/h1-5,9,12H,11H2
InChIKeyIOFHMKWXHFKPHD-UHFFFAOYSA-N
XLogP1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (Z)-3-hydroxy-2-nitroso-3-phenylprop-2-enoate
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O-benzyl-hydroxy-amino-propionic acid
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ethyl (Z)-2-amino-3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 129192517
propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate
CID 144942017
Ethyl 2-amino-3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 154171081
Ethyl 2-hydroxyimino-3-phenyl-3-oxopropionate
CID 135502740
5-[(Benzyloxy)methyl]-4-hydroxyfuran-2(5H)-one
CID 54714014
benzyl (E)-3-hydroxy-2-nitrosobut-2-enoate
CID 135437898
4-fluoro-3-hydroxy-2-phenyl-2H-furan-5-one
CID 82254166
benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate
CID 11402803

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one?
The IUPAC name of 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one (CID 71437125) is 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one?
The canonical SMILES for 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one is NC1=C(O)C(c2ccccc2)OC1=O.
What is the InChIKey of 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one?
The InChIKey is IOFHMKWXHFKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-7-8(12)9(14-10(7)13)6-4-2-1-3-5-6/h1-5,9,12H,11H2.
What are the key properties of 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one?
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one has a molecular weight of 191.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 71437125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).