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

C6H11NO — CID 153463603

IUPAC1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone
SMILES[2H]N1CCC[C@H]1C(C)=O
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1/i/hD
InChIKeyFYCFJMPASVKULQ-WYKFDXFBSA-N
MW114.17 g/mol
LogP0.33
Rot. Bonds1

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

1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone (PubChem CID 153463603) has the molecular formula C6H11NO and a molecular weight of 114.17 g/mol. Its IUPAC name is 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone
PubChem CID153463603
Molecular FormulaC6H11NO
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone
SMILES[2H]N1CCC[C@H]1C(C)=O
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1/i/hD
InChIKeyFYCFJMPASVKULQ-WYKFDXFBSA-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 ≤ 500114.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid
CID 54159346
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
1-(1,3-diazinan-4-yl)ethanone
CID 67472235
(213C)azolidine-2-carboxylic acid
CID 10290769
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone (CID 153463603) is 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone is [2H]N1CCC[C@H]1C(C)=O.
What is the InChIKey of 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone?
The InChIKey is FYCFJMPASVKULQ-WYKFDXFBSA-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/i/hD.
What are the key properties of 1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone?
1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone has a molecular weight of 114.17 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)-1-deuteriopyrrolidin-2-yl]ethanone is sourced from PubChem (CID 153463603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).