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

C8H13NO2 — CID 134245209

IUPAC(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13NO2/c1-4(2)6-8(11)7(10)5(3)9-6/h4,7-8,10-11H,3H2,1-2H3/t7-,8+/m1/s1
InChIKeyKCZXWAWFKOHSHU-SFYZADRCSA-N
MW155.20 g/mol
LogP0.33
Rot. Bonds1

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

(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (PubChem CID 134245209) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
PubChem CID134245209
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13NO2/c1-4(2)6-8(11)7(10)5(3)9-6/h4,7-8,10-11H,3H2,1-2H3/t7-,8+/m1/s1
InChIKeyKCZXWAWFKOHSHU-SFYZADRCSA-N
XLogP0.33
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (CID 134245209) is (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is C=C1N=C(C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The InChIKey is KCZXWAWFKOHSHU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4(2)6-8(11)7(10)5(3)9-6/h4,7-8,10-11H,3H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol has a molecular weight of 155.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 134245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).