deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone

C5H9NO2 — CID 171739949

IUPACdeuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone
SMILES[2H]C(=O)[C@@H]1CCCN1O
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2/t5-/m0/s1/i4D
InChIKeyQFPJIXSKTFLHMK-HHMJLCMQSA-N
MW116.14 g/mol
LogP0.04
Rot. Bonds1

About deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone

deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone (PubChem CID 171739949) has the molecular formula C5H9NO2 and a molecular weight of 116.14 g/mol. Its IUPAC name is deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namedeuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone
PubChem CID171739949
Molecular FormulaC5H9NO2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Namedeuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone
SMILES[2H]C(=O)[C@@H]1CCCN1O
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2/t5-/m0/s1/i4D
InChIKeyQFPJIXSKTFLHMK-HHMJLCMQSA-N
XLogP0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrolidine-2-carbaldehyde
CID 15059895
(2R)-1-methylpyrrolidine-2-carbaldehyde
CID 53829762
1-Ethylpyrrolidine-2-carbaldehyde
CID 21746385
(2S)-1-fluoropyrrolidine-2-carbaldehyde
CID 54216302
(2S)-1-ethylpyrrolidine-2-carbaldehyde
CID 54351967
1-Fluoropyrrolidine-2-carbaldehyde
CID 76135681
(2S)-1-hydroxypyrrolidine-2-carbaldehyde
CID 18604114
1-Hydroxy-5-oxopyrrolidine-2-carbaldehyde
CID 20622972
1-Hydroxy-5-sulfanylidenepyrrolidine-2-carbaldehyde
CID 20622975
1-Hydroxypyrrolidine-2-carbaldehyde
CID 22604970
(2S)-1-methoxypyrrolidine-2-carbaldehyde
CID 22868725
(2S)-1-methylpyrrolidine-2-carbaldehyde
CID 53829761

Frequently Asked Questions

What is the IUPAC name of deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone?
The IUPAC name of deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone (CID 171739949) is deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone.
What is the SMILES notation for deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone?
The canonical SMILES for deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone is [2H]C(=O)[C@@H]1CCCN1O.
What is the InChIKey of deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone?
The InChIKey is QFPJIXSKTFLHMK-HHMJLCMQSA-N. The full InChI is InChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2/t5-/m0/s1/i4D.
What are the key properties of deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone?
deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone has a molecular weight of 116.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-[(2S)-1-hydroxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 171739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).