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

C12H10N2O — CID 15852211

IUPAC5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\c2ccccn2)[nH]1
InChIInChI=1S/C12H10N2O/c15-9-12-7-6-11(14-12)5-4-10-3-1-2-8-13-10/h1-9,14H/b5-4-
InChIKeyWLOJEQFGIZHARS-PLNGDYQASA-N
MW198.22 g/mol
LogP2.39
Rot. Bonds3

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

5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 15852211) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
PubChem CID15852211
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\c2ccccn2)[nH]1
InChIInChI=1S/C12H10N2O/c15-9-12-7-6-11(14-12)5-4-10-3-1-2-8-13-10/h1-9,14H/b5-4-
InChIKeyWLOJEQFGIZHARS-PLNGDYQASA-N
XLogP2.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
CID 102420230
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde
CID 11622621
(E)-6-pyridin-2-ylhex-5-enal
CID 10464818
but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde (CID 15852211) is 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(/C=C\c2ccccn2)[nH]1.
What is the InChIKey of 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is WLOJEQFGIZHARS-PLNGDYQASA-N. The full InChI is InChI=1S/C12H10N2O/c15-9-12-7-6-11(14-12)5-4-10-3-1-2-8-13-10/h1-9,14H/b5-4-.
What are the key properties of 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde?
5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 15852211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).