2-[2-(dimethylamino)ethyl]pyrrolidin-3-one

C8H16N2O — CID 83826510

IUPAC2-[2-(dimethylamino)ethyl]pyrrolidin-3-one
SMILESCN(C)CCC1NCCC1=O
InChIInChI=1S/C8H16N2O/c1-10(2)6-4-7-8(11)3-5-9-7/h7,9H,3-6H2,1-2H3
InChIKeyBPYYIXVLEHHINP-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.13
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one

2-[2-(dimethylamino)ethyl]pyrrolidin-3-one (PubChem CID 83826510) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]pyrrolidin-3-one
PubChem CID83826510
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[2-(dimethylamino)ethyl]pyrrolidin-3-one
SMILESCN(C)CCC1NCCC1=O
InChIInChI=1S/C8H16N2O/c1-10(2)6-4-7-8(11)3-5-9-7/h7,9H,3-6H2,1-2H3
InChIKeyBPYYIXVLEHHINP-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one (CID 83826510) is 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one is CN(C)CCC1NCCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one?
The InChIKey is BPYYIXVLEHHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10(2)6-4-7-8(11)3-5-9-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one?
2-[2-(dimethylamino)ethyl]pyrrolidin-3-one has a molecular weight of 156.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 83826510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).