(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one

C13H13NO5 — CID 7236369

IUPAC(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc([C@H]2NC(=O)C(O)=C2C(C)=O)ccc1O
InChIInChI=1S/C13H13NO5/c1-6(15)10-11(14-13(18)12(10)17)7-3-4-8(16)9(5-7)19-2/h3-5,11,16-17H,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyPNRPGJABVZIYRX-LLVKDONJSA-N
MW263.25 g/mol
LogP0.97
Rot. Bonds3

About (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one

(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one (PubChem CID 7236369) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
PubChem CID7236369
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1cc([C@H]2NC(=O)C(O)=C2C(C)=O)ccc1O
InChIInChI=1S/C13H13NO5/c1-6(15)10-11(14-13(18)12(10)17)7-3-4-8(16)9(5-7)19-2/h3-5,11,16-17H,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyPNRPGJABVZIYRX-LLVKDONJSA-N
XLogP0.97
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 3155878
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methyl-2H-pyrrol-5-one
CID 3407905
(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 7236372
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 3155876
cyclooctyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3093332
7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 22331027
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
CID 3327717
(4S)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 744158
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 7098587

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one (CID 7236369) is (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one is COc1cc([C@H]2NC(=O)C(O)=C2C(C)=O)ccc1O.
What is the InChIKey of (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is PNRPGJABVZIYRX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13NO5/c1-6(15)10-11(14-13(18)12(10)17)7-3-4-8(16)9(5-7)19-2/h3-5,11,16-17H,1-2H3,(H,14,18)/t11-/m1/s1.
What are the key properties of (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one?
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 263.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7236369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).