(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one

C13H14N2O4 — CID 11219202

IUPAC(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCCOC1=CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H14N2O4/c1-2-19-11-7-12(14-13(16)8-11)9-4-3-5-10(6-9)15(17)18/h3-6,8,12H,2,7H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyIZMYLLDWIPGBDP-LBPRGKRZSA-N
MW262.26 g/mol
LogP2.08
Rot. Bonds4

About (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one

(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 11219202) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID11219202
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCCOC1=CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H14N2O4/c1-2-19-11-7-12(14-13(16)8-11)9-4-3-5-10(6-9)15(17)18/h3-6,8,12H,2,7H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyIZMYLLDWIPGBDP-LBPRGKRZSA-N
XLogP2.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
ethyl (4S)-6-amino-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7591960
4-methyl-6-(3-nitrophenyl)-1,3-diazinane-2-thione
CID 74604471
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
2-ethoxyethyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7065526
ethyl (6S)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7035376
2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
CID 84599243
ethyl (2R,3R)-3-(3-nitrophenyl)oxirane-2-carboxylate
CID 101247009
4-(3-methoxyphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 4909989
ethyl (4S)-4-(3-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 741202
ethyl (2R,4S)-6-methyl-2,4-bis(3-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 97182765
ethyl 3-methyl-6-(3-nitrophenyl)-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 614484

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one (CID 11219202) is (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one is CCOC1=CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is IZMYLLDWIPGBDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-19-11-7-12(14-13(16)8-11)9-4-3-5-10(6-9)15(17)18/h3-6,8,12H,2,7H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one?
(2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 262.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 11219202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).