6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde

C15H16N2O — CID 176559600

IUPAC6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde
SMILESC=CC1=C(/C(=C\C)c2ccc(C=O)cn2)CCN1
InChIInChI=1S/C15H16N2O/c1-3-12(13-7-8-16-14(13)4-2)15-6-5-11(10-18)9-17-15/h3-6,9-10,16H,2,7-8H2,1H3/b12-3+
InChIKeyYOFFJTGZCFIXEU-KGVSQERTSA-N
MW240.31 g/mol
LogP2.73
Rot. Bonds4

About 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde

6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde (PubChem CID 176559600) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde
PubChem CID176559600
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde
SMILESC=CC1=C(/C(=C\C)c2ccc(C=O)cn2)CCN1
InChIInChI=1S/C15H16N2O/c1-3-12(13-7-8-16-14(13)4-2)15-6-5-11(10-18)9-17-15/h3-6,9-10,16H,2,7-8H2,1H3/b12-3+
InChIKeyYOFFJTGZCFIXEU-KGVSQERTSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-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

N-Ethylnicotinamide
CID 78007
3-Acetyl-6-methylpyridine
CID 95292
Gangamicin
CID 99132
Phenatine
CID 120640
gamma-Oxo-3-pyridinebutanal
CID 115084
6-Methylnicotinamide
CID 96351
2-Ethylisonicotinamide
CID 76905
3-(Dimethylamino)-1-(6-methyl-3-pyridinyl)-2-propen-1-one
CID 5714022
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
4'-Amino-3-(2-pyridyl)acrylophenone
CID 5354064
5,8-Quinolinedione, 6-((3-dibutylamino)propyl)amino-
CID 99151
4-Pyridin-2-ylbenzaldehyde
CID 1515240

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde (CID 176559600) is 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde is C=CC1=C(/C(=C\C)c2ccc(C=O)cn2)CCN1.
What is the InChIKey of 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde?
The InChIKey is YOFFJTGZCFIXEU-KGVSQERTSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-12(13-7-8-16-14(13)4-2)15-6-5-11(10-18)9-17-15/h3-6,9-10,16H,2,7-8H2,1H3/b12-3+.
What are the key properties of 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde?
6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-(5-ethenyl-2,3-dihydro-1H-pyrrol-4-yl)prop-1-enyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 176559600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).