3-amino-4,4-diethylpyrrolidin-2-one

C8H16N2O — CID 131285623

IUPAC3-amino-4,4-diethylpyrrolidin-2-one
SMILESCCC1(CC)CNC(=O)C1N
InChIInChI=1S/C8H16N2O/c1-3-8(4-2)5-10-7(11)6(8)9/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyRPVSEENEBPDEMR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.25
Rot. Bonds2

About 3-amino-4,4-diethylpyrrolidin-2-one

3-amino-4,4-diethylpyrrolidin-2-one (PubChem CID 131285623) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-amino-4,4-diethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-4,4-diethylpyrrolidin-2-one
PubChem CID131285623
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-amino-4,4-diethylpyrrolidin-2-one
SMILESCCC1(CC)CNC(=O)C1N
InChIInChI=1S/C8H16N2O/c1-3-8(4-2)5-10-7(11)6(8)9/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyRPVSEENEBPDEMR-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-diethylpyrrolidin-2-one?
The IUPAC name of 3-amino-4,4-diethylpyrrolidin-2-one (CID 131285623) is 3-amino-4,4-diethylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-4,4-diethylpyrrolidin-2-one?
The canonical SMILES for 3-amino-4,4-diethylpyrrolidin-2-one is CCC1(CC)CNC(=O)C1N.
What is the InChIKey of 3-amino-4,4-diethylpyrrolidin-2-one?
The InChIKey is RPVSEENEBPDEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(4-2)5-10-7(11)6(8)9/h6H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-4,4-diethylpyrrolidin-2-one?
3-amino-4,4-diethylpyrrolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-diethylpyrrolidin-2-one is sourced from PubChem (CID 131285623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).