3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol

C14H15NO2 — CID 54243639

IUPAC3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol
SMILESC=Cc1c(CC)c(O)n(-c2ccccc2)c1O
InChIInChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h3,5-9,16-17H,1,4H2,2H3
InChIKeyQRSZSDCVJWNTPN-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.09
Rot. Bonds3

About 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol

3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol (PubChem CID 54243639) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol
PubChem CID54243639
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol
SMILESC=Cc1c(CC)c(O)n(-c2ccccc2)c1O
InChIInChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h3,5-9,16-17H,1,4H2,2H3
InChIKeyQRSZSDCVJWNTPN-UHFFFAOYSA-N
XLogP3.09
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol?
The IUPAC name of 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol (CID 54243639) is 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol.
What is the SMILES notation for 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol?
The canonical SMILES for 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol is C=Cc1c(CC)c(O)n(-c2ccccc2)c1O.
What is the InChIKey of 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol?
The InChIKey is QRSZSDCVJWNTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h3,5-9,16-17H,1,4H2,2H3.
What are the key properties of 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol?
3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol has a molecular weight of 229.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-ethyl-1-phenylpyrrole-2,5-diol is sourced from PubChem (CID 54243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).