5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one

C10H11NO3 — CID 82544291

IUPAC5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(O)OC2=O
InChIInChI=1S/C10H11NO3/c1-11(2)6-3-4-7-8(5-6)10(13)14-9(7)12/h3-5,10,13H,1-2H3
InChIKeyPPKYLXPTNIDSPS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.91
Rot. Bonds1

About 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one

5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 82544291) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID82544291
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(O)OC2=O
InChIInChI=1S/C10H11NO3/c1-11(2)6-3-4-7-8(5-6)10(13)14-9(7)12/h3-5,10,13H,1-2H3
InChIKeyPPKYLXPTNIDSPS-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 92981910
3-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-5-(dimethylamino)-3H-2-benzofuran-1-one
CID 70438473
3-(N-[4-[4-(dimethylamino)-N-(3-oxo-1H-2-benzofuran-1-yl)anilino]phenyl]anilino)-3H-2-benzofuran-1-one
CID 139609056
5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
CID 2752586
(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
CID 22121340
3-[[4-(dimethylamino)phenyl]-hydroxymethyl]-3H-2-benzofuran-1-one
CID 91824416
13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one
CID 167170412
(4R)-4-hydroxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
CID 92860879
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
3-(4-anilino-N-[4-(dimethylamino)phenyl]anilino)-3H-2-benzofuran-1-one
CID 139609048
ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate
CID 71600825
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one (CID 82544291) is 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one is CN(C)c1ccc2c(c1)C(O)OC2=O.
What is the InChIKey of 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is PPKYLXPTNIDSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11(2)6-3-4-7-8(5-6)10(13)14-9(7)12/h3-5,10,13H,1-2H3.
What are the key properties of 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one?
5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 193.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 82544291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).