N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

C12H23N3O — CID 62275284

IUPACN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCNC(=O)C(C)N1CCCC1C1CCCN1
InChIInChI=1S/C12H23N3O/c1-9(12(16)13-2)15-8-4-6-11(15)10-5-3-7-14-10/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyKPKGTMOAVFBGNW-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds3

About N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (PubChem CID 62275284) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
PubChem CID62275284
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCNC(=O)C(C)N1CCCC1C1CCCN1
InChIInChI=1S/C12H23N3O/c1-9(12(16)13-2)15-8-4-6-11(15)10-5-3-7-14-10/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyKPKGTMOAVFBGNW-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (CID 62275284) is N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is CNC(=O)C(C)N1CCCC1C1CCCN1.
What is the InChIKey of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The InChIKey is KPKGTMOAVFBGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(12(16)13-2)15-8-4-6-11(15)10-5-3-7-14-10/h9-11,14H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62275284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).