2,3-dihydro-1H-pyrrole-2,3-diol

C4H7NO2 — CID 135319444

IUPAC2,3-dihydro-1H-pyrrole-2,3-diol
SMILESOC1C=CNC1O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h1-7H
InChIKeyOHMOOHJNQFLVHK-UHFFFAOYSA-N
MW101.10 g/mol
LogP-1.22
Rot. Bonds

About 2,3-dihydro-1H-pyrrole-2,3-diol

2,3-dihydro-1H-pyrrole-2,3-diol (PubChem CID 135319444) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole-2,3-diol.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole-2,3-diol
PubChem CID135319444
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2,3-dihydro-1H-pyrrole-2,3-diol
SMILESOC1C=CNC1O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h1-7H
InChIKeyOHMOOHJNQFLVHK-UHFFFAOYSA-N
XLogP-1.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole-2,3-diol?
The IUPAC name of 2,3-dihydro-1H-pyrrole-2,3-diol (CID 135319444) is 2,3-dihydro-1H-pyrrole-2,3-diol.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole-2,3-diol?
The canonical SMILES for 2,3-dihydro-1H-pyrrole-2,3-diol is OC1C=CNC1O.
What is the InChIKey of 2,3-dihydro-1H-pyrrole-2,3-diol?
The InChIKey is OHMOOHJNQFLVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h1-7H.
What are the key properties of 2,3-dihydro-1H-pyrrole-2,3-diol?
2,3-dihydro-1H-pyrrole-2,3-diol has a molecular weight of 101.10 g/mol, XLogP of -1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole-2,3-diol is sourced from PubChem (CID 135319444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).