3-amino-1-ethoxypyrrolidin-2-one

C6H12N2O2 — CID 59657825

IUPAC3-amino-1-ethoxypyrrolidin-2-one
SMILESCCON1CCC(N)C1=O
InChIInChI=1S/C6H12N2O2/c1-2-10-8-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyMGWKYLDNCCFDSI-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.50
Rot. Bonds2

About 3-amino-1-ethoxypyrrolidin-2-one

3-amino-1-ethoxypyrrolidin-2-one (PubChem CID 59657825) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-1-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-ethoxypyrrolidin-2-one
PubChem CID59657825
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-1-ethoxypyrrolidin-2-one
SMILESCCON1CCC(N)C1=O
InChIInChI=1S/C6H12N2O2/c1-2-10-8-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyMGWKYLDNCCFDSI-UHFFFAOYSA-N
XLogP-0.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethoxypyrrolidin-2-one?
The IUPAC name of 3-amino-1-ethoxypyrrolidin-2-one (CID 59657825) is 3-amino-1-ethoxypyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-ethoxypyrrolidin-2-one?
The canonical SMILES for 3-amino-1-ethoxypyrrolidin-2-one is CCON1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-ethoxypyrrolidin-2-one?
The InChIKey is MGWKYLDNCCFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-10-8-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3.
What are the key properties of 3-amino-1-ethoxypyrrolidin-2-one?
3-amino-1-ethoxypyrrolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethoxypyrrolidin-2-one is sourced from PubChem (CID 59657825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).