3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide

C12H14N2O4 — CID 78051323

IUPAC3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
SMILESCC1(O)CN(c2cccc(C(N)=O)c2)C(=O)C1O
InChIInChI=1S/C12H14N2O4/c1-12(18)6-14(11(17)9(12)15)8-4-2-3-7(5-8)10(13)16/h2-5,9,15,18H,6H2,1H3,(H2,13,16)
InChIKeyARKABDYHXTZRQK-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.76
Rot. Bonds2

About 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide

3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide (PubChem CID 78051323) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
PubChem CID78051323
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
SMILESCC1(O)CN(c2cccc(C(N)=O)c2)C(=O)C1O
InChIInChI=1S/C12H14N2O4/c1-12(18)6-14(11(17)9(12)15)8-4-2-3-7(5-8)10(13)16/h2-5,9,15,18H,6H2,1H3,(H2,13,16)
InChIKeyARKABDYHXTZRQK-UHFFFAOYSA-N
XLogP-0.76
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-hydroxy-4,4-dimethylpyrrolidin-2-one
CID 123221770
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
3-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)benzamide
CID 170237616
3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
CID 107810383
3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 107810377
(1R,2R,6R,7R)-4-(3-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124713521
3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
CID 11736175
benzamide;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 144962641
methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
CID 142835055
3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
CID 113224926
1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107811853
(1R,2S,6S,7R,8S,10S)-4-(3-acetylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98069349

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide (CID 78051323) is 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide is CC1(O)CN(c2cccc(C(N)=O)c2)C(=O)C1O.
What is the InChIKey of 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ARKABDYHXTZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(18)6-14(11(17)9(12)15)8-4-2-3-7(5-8)10(13)16/h2-5,9,15,18H,6H2,1H3,(H2,13,16).
What are the key properties of 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide?
3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 250.25 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 78051323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).