2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol

C8H13NO2 — CID 145054718

IUPAC2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C(C)C)C(O)C1O
InChIInChI=1S/C8H13NO2/c1-4(2)6-8(11)7(10)5(3)9-6/h4,7-8,10-11H,3H2,1-2H3
InChIKeyKCZXWAWFKOHSHU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.33
Rot. Bonds1

About 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol

2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (PubChem CID 145054718) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
PubChem CID145054718
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC=C1N=C(C(C)C)C(O)C1O
InChIInChI=1S/C8H13NO2/c1-4(2)6-8(11)7(10)5(3)9-6/h4,7-8,10-11H,3H2,1-2H3
InChIKeyKCZXWAWFKOHSHU-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (CID 145054718) is 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is C=C1N=C(C(C)C)C(O)C1O.
What is the InChIKey of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The InChIKey is KCZXWAWFKOHSHU-UHFFFAOYSA-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.
What are the key properties of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
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 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 145054718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).