(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol

C6H9NO2 — CID 154937590

IUPAC(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H9NO2/c1-3-5(8)6(9)4(2)7-3/h5-6,8-9H,1H2,2H3/t5-,6+/m1/s1
InChIKeyHQOPMEJOLZKTED-RITPCOANSA-N
MW127.14 g/mol
LogP-0.30
Rot. Bonds

About (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol

(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol (PubChem CID 154937590) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol
PubChem CID154937590
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H9NO2/c1-3-5(8)6(9)4(2)7-3/h5-6,8-9H,1H2,2H3/t5-,6+/m1/s1
InChIKeyHQOPMEJOLZKTED-RITPCOANSA-N
XLogP-0.30
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol (CID 154937590) is (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol is C=C1N=C(C)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol?
The InChIKey is HQOPMEJOLZKTED-RITPCOANSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5(8)6(9)4(2)7-3/h5-6,8-9H,1H2,2H3/t5-,6+/m1/s1.
What are the key properties of (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol?
(3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol has a molecular weight of 127.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 154937590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).