(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one

C19H16N2O3 — CID 11012630

IUPAC(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one
SMILESCc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2)c(C)c1
InChIInChI=1S/C19H16N2O3/c1-12-6-7-17(13(2)8-12)18-11-15(19(22)20-18)9-14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22)/b15-9+
InChIKeyPDVZSUKXBDGCOJ-OQLLNIDSSA-N
MW320.35 g/mol
LogP3.77
Rot. Bonds3

About (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one

(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one (PubChem CID 11012630) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one.

Molecular Properties

Compound Name(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one
PubChem CID11012630
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one
SMILESCc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2)c(C)c1
InChIInChI=1S/C19H16N2O3/c1-12-6-7-17(13(2)8-12)18-11-15(19(22)20-18)9-14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22)/b15-9+
InChIKeyPDVZSUKXBDGCOJ-OQLLNIDSSA-N
XLogP3.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-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

5-(4-methylphenyl)-3-[(3-nitrophenyl)methylidene]furan-2-one
CID 867798
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
5-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 890303
2-(4-methylphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523291
4-[(3-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 91942073
(NE)-4-methyl-N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 171982869
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
(5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241126
3-[(3-nitrophenyl)methylidene]-5-propylfuran-2-one
CID 3078219
(3E)-5-(2,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methylidene]furan-2-one
CID 2277449
1-methyl-3-nitrobenzene
CID 7422
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064792

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one?
The IUPAC name of (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one (CID 11012630) is (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one.
What is the SMILES notation for (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one?
The canonical SMILES for (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one is Cc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2)c(C)c1.
What is the InChIKey of (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one?
The InChIKey is PDVZSUKXBDGCOJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-6-7-17(13(2)8-12)18-11-15(19(22)20-18)9-14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22)/b15-9+.
What are the key properties of (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one?
(3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(2,4-dimethylphenyl)-3-[(3-nitrophenyl)methylidene]-1H-pyrrol-2-one is sourced from PubChem (CID 11012630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).