2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

C13H24N2O — CID 62947088

IUPAC2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3
InChIKeyWLJCWTWMAMVABI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds1

About 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 62947088) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID62947088
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3
InChIKeyWLJCWTWMAMVABI-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
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CID 64592238
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 135302075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 62947088) is 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is WLJCWTWMAMVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62947088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).