(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol

C6H11NO2 — CID 121274560

IUPAC(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESCC1=NC(C)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO2/c1-3-5(8)6(9)4(2)7-3/h3,5-6,8-9H,1-2H3/t3?,5-,6-/m0/s1
InChIKeyJZXNNJDAPIEXFI-SODBFBBFSA-N
MW129.16 g/mol
LogP-0.43
Rot. Bonds

About (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol

(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 121274560) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID121274560
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESCC1=NC(C)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO2/c1-3-5(8)6(9)4(2)7-3/h3,5-6,8-9H,1-2H3/t3?,5-,6-/m0/s1
InChIKeyJZXNNJDAPIEXFI-SODBFBBFSA-N
XLogP-0.43
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol (CID 121274560) is (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol is CC1=NC(C)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is JZXNNJDAPIEXFI-SODBFBBFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(8)6(9)4(2)7-3/h3,5-6,8-9H,1-2H3/t3?,5-,6-/m0/s1.
What are the key properties of (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol?
(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 129.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 121274560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).