3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione

C13H20N2O2 — CID 63684163

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CC3CCC2C3)C1=O
InChIInChI=1S/C13H20N2O2/c1-15-12(16)6-11(13(15)17)14-7-10-5-8-2-3-9(10)4-8/h8-11,14H,2-7H2,1H3
InChIKeyMJIITPJYHFRPBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.77
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione

3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 63684163) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID63684163
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CC3CCC2C3)C1=O
InChIInChI=1S/C13H20N2O2/c1-15-12(16)6-11(13(15)17)14-7-10-5-8-2-3-9(10)4-8/h8-11,14H,2-7H2,1H3
InChIKeyMJIITPJYHFRPBA-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
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 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione (CID 63684163) is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCC2CC3CCC2C3)C1=O.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is MJIITPJYHFRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-12(16)6-11(13(15)17)14-7-10-5-8-2-3-9(10)4-8/h8-11,14H,2-7H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione?
3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 236.31 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 3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 63684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).