(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol

C5H9NO2 — CID 155803630

IUPAC(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol
SMILESOC[C@H]1NC=C[C@@H]1O
InChIInChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h1-2,4-8H,3H2/t4-,5+/m1/s1
InChIKeyYCJHPPXMNBUKDL-UHNVWZDZSA-N
MW115.13 g/mol
LogP-1.17
Rot. Bonds1

About (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol

(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol (PubChem CID 155803630) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol
PubChem CID155803630
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol
SMILESOC[C@H]1NC=C[C@@H]1O
InChIInChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h1-2,4-8H,3H2/t4-,5+/m1/s1
InChIKeyYCJHPPXMNBUKDL-UHNVWZDZSA-N
XLogP-1.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol (CID 155803630) is (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol is OC[C@H]1NC=C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol?
The InChIKey is YCJHPPXMNBUKDL-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h1-2,4-8H,3H2/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol?
(2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol has a molecular weight of 115.13 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-2,3-dihydro-1H-pyrrol-3-ol is sourced from PubChem (CID 155803630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).