1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione

C17H17NO2 — CID 659666

IUPAC1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESCc1ccc(N2C(=O)CC3(CC4C=CC3C4)C2=O)cc1
InChIInChI=1S/C17H17NO2/c1-11-2-6-14(7-3-11)18-15(19)10-17(16(18)20)9-12-4-5-13(17)8-12/h2-7,12-13H,8-10H2,1H3
InChIKeyYMKRBQHAGIZWOS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.84
Rot. Bonds1

About 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione

1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (PubChem CID 659666) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
PubChem CID659666
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESCc1ccc(N2C(=O)CC3(CC4C=CC3C4)C2=O)cc1
InChIInChI=1S/C17H17NO2/c1-11-2-6-14(7-3-11)18-15(19)10-17(16(18)20)9-12-4-5-13(17)8-12/h2-7,12-13H,8-10H2,1H3
InChIKeyYMKRBQHAGIZWOS-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (CID 659666) is 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is Cc1ccc(N2C(=O)CC3(CC4C=CC3C4)C2=O)cc1.
What is the InChIKey of 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The InChIKey is YMKRBQHAGIZWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-2-6-14(7-3-11)18-15(19)10-17(16(18)20)9-12-4-5-13(17)8-12/h2-7,12-13H,8-10H2,1H3.
What are the key properties of 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione has a molecular weight of 267.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylphenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 659666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).