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

C14H15NO4 — CID 7236372

IUPAC(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCOc1ccc([C@H]2NC(=O)C(O)=C2C(C)=O)cc1
InChIInChI=1S/C14H15NO4/c1-3-19-10-6-4-9(5-7-10)12-11(8(2)16)13(17)14(18)15-12/h4-7,12,17H,3H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyRVNAZHNYNRTUJB-GFCCVEGCSA-N
MW261.28 g/mol
LogP1.66
Rot. Bonds4

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

(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 7236372) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID7236372
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCOc1ccc([C@H]2NC(=O)C(O)=C2C(C)=O)cc1
InChIInChI=1S/C14H15NO4/c1-3-19-10-6-4-9(5-7-10)12-11(8(2)16)13(17)14(18)15-12/h4-7,12,17H,3H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyRVNAZHNYNRTUJB-GFCCVEGCSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979
(5R)-5-(4-chlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 40571902
3-acetyl-2-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-hydroxy-2H-pyrrol-5-one
CID 51138457
methyl 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51366519
cyclohexyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1099403
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 7235878
4-(4-ethoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980486
[(1S,2R)-2-methylcyclopentyl] (4S)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 6966983
(4R)-N-(4-bromophenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40840577
2,2,3,3,3-pentafluoropropyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7097653

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 7236372) is (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is CCOc1ccc([C@H]2NC(=O)C(O)=C2C(C)=O)cc1.
What is the InChIKey of (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is RVNAZHNYNRTUJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-10-6-4-9(5-7-10)12-11(8(2)16)13(17)14(18)15-12/h4-7,12,17H,3H2,1-2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 261.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7236372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).