7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H25N3O — CID 81465332

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C
InChIInChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3
InChIKeyVTSSHKIMJFIRPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81465332) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81465332
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C
InChIInChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3
InChIKeyVTSSHKIMJFIRPX-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone 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 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81465332) is 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is VTSSHKIMJFIRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 251.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81465332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).