5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde

C15H11N3O — CID 102420230

IUPAC5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\c2cnc3ccccc3n2)[nH]1
InChIInChI=1S/C15H11N3O/c19-10-13-8-6-11(17-13)5-7-12-9-16-14-3-1-2-4-15(14)18-12/h1-10,17H/b7-5-
InChIKeyQGVGTGKYWUQQTF-ALCCZGGFSA-N
MW249.27 g/mol
LogP2.94
Rot. Bonds3

About 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde

5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 102420230) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
PubChem CID102420230
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\c2cnc3ccccc3n2)[nH]1
InChIInChI=1S/C15H11N3O/c19-10-13-8-6-11(17-13)5-7-12-9-16-14-3-1-2-4-15(14)18-12/h1-10,17H/b7-5-
InChIKeyQGVGTGKYWUQQTF-ALCCZGGFSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.94
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-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
CID 15852211
2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline
CID 92532642
2-[(E)-2-(furan-3-yl)ethenyl]quinoxaline
CID 66775650
2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
CID 66776126
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
2-[(E)-4-phenylbut-1-enyl]quinoxaline
CID 134943541
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
1,3-dimethyl-5-(quinoxalin-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 9037683
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde (CID 102420230) is 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(/C=C\c2cnc3ccccc3n2)[nH]1.
What is the InChIKey of 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is QGVGTGKYWUQQTF-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H11N3O/c19-10-13-8-6-11(17-13)5-7-12-9-16-14-3-1-2-4-15(14)18-12/h1-10,17H/b7-5-.
What are the key properties of 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 102420230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).