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

C14H19NO2 — CID 18740197

IUPAC1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESCC(C)CN1C(=O)CC2(CC3C=CC2C3)C1=O
InChIInChI=1S/C14H19NO2/c1-9(2)8-15-12(16)7-14(13(15)17)6-10-3-4-11(14)5-10/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDNMYTSWALQIRMC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds2

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

1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (PubChem CID 18740197) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
PubChem CID18740197
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESCC(C)CN1C(=O)CC2(CC3C=CC2C3)C1=O
InChIInChI=1S/C14H19NO2/c1-9(2)8-15-12(16)7-14(13(15)17)6-10-3-4-11(14)5-10/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDNMYTSWALQIRMC-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
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'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (CID 18740197) is 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is CC(C)CN1C(=O)CC2(CC3C=CC2C3)C1=O.
What is the InChIKey of 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The InChIKey is DNMYTSWALQIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)8-15-12(16)7-14(13(15)17)6-10-3-4-11(14)5-10/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione has a molecular weight of 233.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 18740197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).