2-(diethylamino)-1-pyrrolidin-3-ylethanone

C10H20N2O — CID 69120222

IUPAC2-(diethylamino)-1-pyrrolidin-3-ylethanone
SMILESCCN(CC)CC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)8-10(13)9-5-6-11-7-9/h9,11H,3-8H2,1-2H3
InChIKeyJHQFFZDGMWSGRB-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds5

About 2-(diethylamino)-1-pyrrolidin-3-ylethanone

2-(diethylamino)-1-pyrrolidin-3-ylethanone (PubChem CID 69120222) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(diethylamino)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-pyrrolidin-3-ylethanone
PubChem CID69120222
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(diethylamino)-1-pyrrolidin-3-ylethanone
SMILESCCN(CC)CC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)8-10(13)9-5-6-11-7-9/h9,11H,3-8H2,1-2H3
InChIKeyJHQFFZDGMWSGRB-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(diethylamino)-1-pyrrolidin-3-ylethanone (CID 69120222) is 2-(diethylamino)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(diethylamino)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(diethylamino)-1-pyrrolidin-3-ylethanone is CCN(CC)CC(=O)C1CCNC1.
What is the InChIKey of 2-(diethylamino)-1-pyrrolidin-3-ylethanone?
The InChIKey is JHQFFZDGMWSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(4-2)8-10(13)9-5-6-11-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-pyrrolidin-3-ylethanone?
2-(diethylamino)-1-pyrrolidin-3-ylethanone has a molecular weight of 184.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 69120222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).