1-[(2S)-pyrrolidin-2-yl]ethanone

C6H11NO — CID 10987973

IUPAC1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyFYCFJMPASVKULQ-LURJTMIESA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds1

About 1-[(2S)-pyrrolidin-2-yl]ethanone

1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 10987973) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID10987973
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyFYCFJMPASVKULQ-LURJTMIESA-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 1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-pyrrolidin-2-yl]ethanone (CID 10987973) is 1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-pyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is FYCFJMPASVKULQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidin-2-yl]ethanone?
1-[(2S)-pyrrolidin-2-yl]ethanone 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 1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 10987973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).