(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol

C4H7NO2 — CID 10942354

IUPAC(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESO[C@@H]1C=NC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,3-4,6-7H,2H2/t3-,4+/m1/s1
InChIKeyRTVUDPFAUMGQAC-DMTCNVIQSA-N
MW101.10 g/mol
LogP-1.21
Rot. Bonds

About (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol

(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 10942354) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID10942354
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESO[C@@H]1C=NC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,3-4,6-7H,2H2/t3-,4+/m1/s1
InChIKeyRTVUDPFAUMGQAC-DMTCNVIQSA-N
XLogP-1.21
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol (CID 10942354) is (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol is O[C@@H]1C=NC[C@@H]1O.
What is the InChIKey of (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is RTVUDPFAUMGQAC-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,3-4,6-7H,2H2/t3-,4+/m1/s1.
What are the key properties of (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol?
(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 101.10 g/mol, XLogP of -1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 10942354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).