(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one

C8H16N2O — CID 122533105

IUPAC(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one
SMILESCNCC[C@H]1CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-9-5-3-7-4-6-10(2)8(7)11/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyJHFHKDYVVZRDCW-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds3

About (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one

(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one (PubChem CID 122533105) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one
PubChem CID122533105
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one
SMILESCNCC[C@H]1CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-9-5-3-7-4-6-10(2)8(7)11/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyJHFHKDYVVZRDCW-ZETCQYMHSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one (CID 122533105) is (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one is CNCC[C@H]1CCN(C)C1=O.
What is the InChIKey of (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one?
The InChIKey is JHFHKDYVVZRDCW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-5-3-7-4-6-10(2)8(7)11/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one?
(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 122533105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).