5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde

C12H11NO2 — CID 142730846

IUPAC5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde
SMILESO=Cc1ccc(CO)n1-c1ccccc1
InChIInChI=1S/C12H11NO2/c14-8-11-6-7-12(9-15)13(11)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyRHRRMXCKUMUPJN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.78
Rot. Bonds3

About 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde

5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde (PubChem CID 142730846) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde
PubChem CID142730846
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde
SMILESO=Cc1ccc(CO)n1-c1ccccc1
InChIInChI=1S/C12H11NO2/c14-8-11-6-7-12(9-15)13(11)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyRHRRMXCKUMUPJN-UHFFFAOYSA-N
XLogP1.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-1-(1-phenylethyl)pyrrole-2-carbaldehyde
CID 21120718
5-(hydroxymethyl)-1-(3-hydroxypropyl)pyrrole-2-carbaldehyde
CID 142730843
3-phenyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82396622
benzaldehyde;phenylmethanol
CID 87934574
5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
CID 169092984
ethyl 6-(difluoromethyl)-2-oxo-1-phenylpyridine-3-carboxylate;ethyl 6-(hydroxymethyl)-2-oxo-1-phenylpyridine-3-carboxylate
CID 158887335
1-benzyl-5-(2-phenylethyl)pyrrole-2-carbaldehyde
CID 100793435
7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde
CID 123609231
4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride
CID 161102199
2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde
CID 102201292
5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde
CID 59170383
acetaldehyde;phenylmethanol;zinc;hydrobromide
CID 139511848

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde (CID 142730846) is 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde is O=Cc1ccc(CO)n1-c1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde?
The InChIKey is RHRRMXCKUMUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-8-11-6-7-12(9-15)13(11)10-4-2-1-3-5-10/h1-8,15H,9H2.
What are the key properties of 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde?
5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde is sourced from PubChem (CID 142730846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).