1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione

C14H20N2O2 — CID 114095808

IUPAC1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2C3C4CCC(C4)C23)C1=O
InChIInChI=1S/C14H20N2O2/c1-2-16-10(17)6-9(14(16)18)15-13-11-7-3-4-8(5-7)12(11)13/h7-9,11-13,15H,2-6H2,1H3
InChIKeyLGVVHXJEZFOWBN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds3

About 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione

1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione (PubChem CID 114095808) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
PubChem CID114095808
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2C3C4CCC(C4)C23)C1=O
InChIInChI=1S/C14H20N2O2/c1-2-16-10(17)6-9(14(16)18)15-13-11-7-3-4-8(5-7)12(11)13/h7-9,11-13,15H,2-6H2,1H3
InChIKeyLGVVHXJEZFOWBN-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione (CID 114095808) is 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(NC2C3C4CCC(C4)C23)C1=O.
What is the InChIKey of 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione?
The InChIKey is LGVVHXJEZFOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16-10(17)6-9(14(16)18)15-13-11-7-3-4-8(5-7)12(11)13/h7-9,11-13,15H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione has a molecular weight of 248.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 114095808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).