(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one

C10H19NO — CID 59868894

IUPAC(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
SMILESCCN1C(=O)C(C)(C)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyRXWVASRYLIWJBT-SFYZADRCSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds1

About (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one

(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one (PubChem CID 59868894) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
PubChem CID59868894
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
SMILESCCN1C(=O)C(C)(C)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyRXWVASRYLIWJBT-SFYZADRCSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one (CID 59868894) is (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one is CCN1C(=O)C(C)(C)[C@H](C)[C@@H]1C.
What is the InChIKey of (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The InChIKey is RXWVASRYLIWJBT-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1.
What are the key properties of (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one?
(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one is sourced from PubChem (CID 59868894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).