(2R)-2-ethylpyrrolidin-3-one

C6H11NO — CID 91064226

IUPAC(2R)-2-ethylpyrrolidin-3-one
SMILESCC[C@H]1NCCC1=O
InChIInChI=1S/C6H11NO/c1-2-5-6(8)3-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeySEMLMBCSWHCHHS-RXMQYKEDSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds1

About (2R)-2-ethylpyrrolidin-3-one

(2R)-2-ethylpyrrolidin-3-one (PubChem CID 91064226) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2R)-2-ethylpyrrolidin-3-one.

Molecular Properties

Compound Name(2R)-2-ethylpyrrolidin-3-one
PubChem CID91064226
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2R)-2-ethylpyrrolidin-3-one
SMILESCC[C@H]1NCCC1=O
InChIInChI=1S/C6H11NO/c1-2-5-6(8)3-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeySEMLMBCSWHCHHS-RXMQYKEDSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylpyrrolidin-3-one?
The IUPAC name of (2R)-2-ethylpyrrolidin-3-one (CID 91064226) is (2R)-2-ethylpyrrolidin-3-one.
What is the SMILES notation for (2R)-2-ethylpyrrolidin-3-one?
The canonical SMILES for (2R)-2-ethylpyrrolidin-3-one is CC[C@H]1NCCC1=O.
What is the InChIKey of (2R)-2-ethylpyrrolidin-3-one?
The InChIKey is SEMLMBCSWHCHHS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-5-6(8)3-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-ethylpyrrolidin-3-one?
(2R)-2-ethylpyrrolidin-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylpyrrolidin-3-one is sourced from PubChem (CID 91064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).