(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione

C21H20N2O4 — CID 134974474

IUPAC(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione
SMILESO=C(/C=C(\CC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-20(16-6-2-1-3-7-16)14-19(22-12-4-5-13-22)15-21(25)17-8-10-18(11-9-17)23(26)27/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+
InChIKeyMSFVERFZVWJSQR-XMHGGMMESA-N
MW364.40 g/mol
LogP4.03
Rot. Bonds7

About (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione

(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione (PubChem CID 134974474) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione.

Molecular Properties

Compound Name(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione
PubChem CID134974474
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione
SMILESO=C(/C=C(\CC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-20(16-6-2-1-3-7-16)14-19(22-12-4-5-13-22)15-21(25)17-8-10-18(11-9-17)23(26)27/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+
InChIKeyMSFVERFZVWJSQR-XMHGGMMESA-N
XLogP4.03
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione 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

N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
N-[(E)-1-bromo-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 3002807
N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 5440631
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
CID 17386597
2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone
CID 3667986
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
N-[1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 3104323
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione?
The IUPAC name of (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione (CID 134974474) is (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione.
What is the SMILES notation for (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione?
The canonical SMILES for (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione is O=C(/C=C(\CC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1)c1ccccc1.
What is the InChIKey of (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione?
The InChIKey is MSFVERFZVWJSQR-XMHGGMMESA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(16-6-2-1-3-7-16)14-19(22-12-4-5-13-22)15-21(25)17-8-10-18(11-9-17)23(26)27/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+.
What are the key properties of (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione?
(E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione has a molecular weight of 364.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-nitrophenyl)-1-phenyl-3-pyrrolidin-1-ylpent-2-ene-1,5-dione is sourced from PubChem (CID 134974474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).