5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde

C13H11NO — CID 22628798

IUPAC5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESC=C(c1ccccc1)c1ccc(C=O)[nH]1
InChIInChI=1S/C13H11NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(9-15)14-13/h2-9,14H,1H2
InChIKeyVGFXGAOYGSHBKE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.89
Rot. Bonds3

About 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde

5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 22628798) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID22628798
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESC=C(c1ccccc1)c1ccc(C=O)[nH]1
InChIInChI=1S/C13H11NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(9-15)14-13/h2-9,14H,1H2
InChIKeyVGFXGAOYGSHBKE-UHFFFAOYSA-N
XLogP2.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde (CID 22628798) is 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde is C=C(c1ccccc1)c1ccc(C=O)[nH]1.
What is the InChIKey of 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is VGFXGAOYGSHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(9-15)14-13/h2-9,14H,1H2.
What are the key properties of 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde?
5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 197.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 22628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).