1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone

C13H24N2O2 — CID 115275055

IUPAC1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(O)C2(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)11(16)5-7-15(13)12(17)8-10-4-6-14(3)9-10/h10-11,16H,4-9H2,1-3H3
InChIKeyLQDXENLGPRDGRN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds2

About 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone

1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 115275055) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID115275055
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCC(O)C2(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)11(16)5-7-15(13)12(17)8-10-4-6-14(3)9-10/h10-11,16H,4-9H2,1-3H3
InChIKeyLQDXENLGPRDGRN-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone (CID 115275055) is 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(CC(=O)N2CCC(O)C2(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is LQDXENLGPRDGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)11(16)5-7-15(13)12(17)8-10-4-6-14(3)9-10/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone?
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 115275055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).