2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one

C13H22N2O2 — CID 112533245

IUPAC2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)CCN1CCCC1
InChIInChI=1S/C13H22N2O2/c1-13(2)11(16)5-10-15(13)12(17)6-9-14-7-3-4-8-14/h3-10H2,1-2H3
InChIKeyHENHRMPJRVMGDL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds3

About 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one

2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one (PubChem CID 112533245) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
PubChem CID112533245
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)CCN1CCCC1
InChIInChI=1S/C13H22N2O2/c1-13(2)11(16)5-10-15(13)12(17)6-9-14-7-3-4-8-14/h3-10H2,1-2H3
InChIKeyHENHRMPJRVMGDL-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one (CID 112533245) is 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one is CC1(C)C(=O)CCN1C(=O)CCN1CCCC1.
What is the InChIKey of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one?
The InChIKey is HENHRMPJRVMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)11(16)5-10-15(13)12(17)6-9-14-7-3-4-8-14/h3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one?
2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one has a molecular weight of 238.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one is sourced from PubChem (CID 112533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).