3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane

C13H26N2O — CID 144942217

IUPAC3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane
SMILESCC.CN1CCC(N2CCC(C)(C)C2)C1=O
InChIInChI=1S/C11H20N2O.C2H6/c1-11(2)5-7-13(8-11)9-4-6-12(3)10(9)14;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyYKBHTWMACKAZKA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds1

About 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane

3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane (PubChem CID 144942217) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane
PubChem CID144942217
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane
SMILESCC.CN1CCC(N2CCC(C)(C)C2)C1=O
InChIInChI=1S/C11H20N2O.C2H6/c1-11(2)5-7-13(8-11)9-4-6-12(3)10(9)14;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyYKBHTWMACKAZKA-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane?
The IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane (CID 144942217) is 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane?
The canonical SMILES for 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane is CC.CN1CCC(N2CCC(C)(C)C2)C1=O.
What is the InChIKey of 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane?
The InChIKey is YKBHTWMACKAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c1-11(2)5-7-13(8-11)9-4-6-12(3)10(9)14;1-2/h9H,4-8H2,1-3H3;1-2H3.
What are the key properties of 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane?
3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane has a molecular weight of 226.36 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpyrrolidin-1-yl)-1-methylpyrrolidin-2-one;ethane is sourced from PubChem (CID 144942217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).