10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C20H18N2O4 — CID 2884316

IUPAC10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3C3=CCCC3)C2C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O4/c23-19-17-14-8-9-15(16(14)11-4-1-2-5-11)18(17)20(24)21(19)12-6-3-7-13(10-12)22(25)26/h3-4,6-10,14-18H,1-2,5H2
InChIKeySUWDWFFXXGXLDI-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.24
Rot. Bonds3

About 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2884316) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2884316
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3C3=CCCC3)C2C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O4/c23-19-17-14-8-9-15(16(14)11-4-1-2-5-11)18(17)20(24)21(19)12-6-3-7-13(10-12)22(25)26/h3-4,6-10,14-18H,1-2,5H2
InChIKeySUWDWFFXXGXLDI-UHFFFAOYSA-N
XLogP3.24
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2884316) is 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3C3=CCCC3)C2C(=O)N1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is SUWDWFFXXGXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19-17-14-8-9-15(16(14)11-4-1-2-5-11)18(17)20(24)21(19)12-6-3-7-13(10-12)22(25)26/h3-4,6-10,14-18H,1-2,5H2.
What are the key properties of 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 350.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopenten-1-yl)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2884316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).