1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol

C8H11NO2 — CID 54287619

IUPAC1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol
SMILESC=C(C)c1cc(O)n(C)c1O
InChIInChI=1S/C8H11NO2/c1-5(2)6-4-7(10)9(3)8(6)11/h4,10-11H,1H2,2-3H3
InChIKeyRVGKMOVCVBKNSU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.47
Rot. Bonds1

About 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol

1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol (PubChem CID 54287619) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol
PubChem CID54287619
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol
SMILESC=C(C)c1cc(O)n(C)c1O
InChIInChI=1S/C8H11NO2/c1-5(2)6-4-7(10)9(3)8(6)11/h4,10-11H,1H2,2-3H3
InChIKeyRVGKMOVCVBKNSU-UHFFFAOYSA-N
XLogP1.47
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol?
The IUPAC name of 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol (CID 54287619) is 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol.
What is the SMILES notation for 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol?
The canonical SMILES for 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol is C=C(C)c1cc(O)n(C)c1O.
What is the InChIKey of 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol?
The InChIKey is RVGKMOVCVBKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)6-4-7(10)9(3)8(6)11/h4,10-11H,1H2,2-3H3.
What are the key properties of 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol?
1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol has a molecular weight of 153.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-1-en-2-ylpyrrole-2,5-diol is sourced from PubChem (CID 54287619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).