4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one

C15H26N2O — CID 19987415

IUPAC4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1CC1CN2CCC1CC2
InChIInChI=1S/C15H26N2O/c1-3-14-13(9-16(2)15(14)18)8-12-10-17-6-4-11(12)5-7-17/h11-14H,3-10H2,1-2H3
InChIKeyCSAJGBSNGLUWOE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.83
Rot. Bonds3

About 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one

4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one (PubChem CID 19987415) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one
PubChem CID19987415
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1CC1CN2CCC1CC2
InChIInChI=1S/C15H26N2O/c1-3-14-13(9-16(2)15(14)18)8-12-10-17-6-4-11(12)5-7-17/h11-14H,3-10H2,1-2H3
InChIKeyCSAJGBSNGLUWOE-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one 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 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one (CID 19987415) is 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one is CCC1C(=O)N(C)CC1CC1CN2CCC1CC2.
What is the InChIKey of 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one?
The InChIKey is CSAJGBSNGLUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14-13(9-16(2)15(14)18)8-12-10-17-6-4-11(12)5-7-17/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one?
4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 19987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).