1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde

C11H9NO2 — CID 1072567

IUPAC1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(O)cc1
InChIInChI=1S/C11H9NO2/c13-8-10-2-1-7-12(10)9-3-5-11(14)6-4-9/h1-8,14H
InChIKeyNROKDIKTPVGYEO-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde

1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde (PubChem CID 1072567) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde
PubChem CID1072567
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(O)cc1
InChIInChI=1S/C11H9NO2/c13-8-10-2-1-7-12(10)9-3-5-11(14)6-4-9/h1-8,14H
InChIKeyNROKDIKTPVGYEO-UHFFFAOYSA-N
XLogP2.00
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde (CID 1072567) is 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde?
The InChIKey is NROKDIKTPVGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-8-10-2-1-7-12(10)9-3-5-11(14)6-4-9/h1-8,14H.
What are the key properties of 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde?
1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 1072567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).