2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

C12H23N3O — CID 110479818

IUPAC2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-13(2)10-12(16)15-8-5-11(9-15)14-6-3-4-7-14/h11H,3-10H2,1-2H3
InChIKeyMBAVWAMGNJWQLB-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds3

About 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 110479818) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID110479818
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-13(2)10-12(16)15-8-5-11(9-15)14-6-3-4-7-14/h11H,3-10H2,1-2H3
InChIKeyMBAVWAMGNJWQLB-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
CID 168941007
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (CID 110479818) is 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is CN(C)CC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is MBAVWAMGNJWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13(2)10-12(16)15-8-5-11(9-15)14-6-3-4-7-14/h11H,3-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 110479818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).