4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C14H21NO3 — CID 139399524

IUPAC4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC=CC1=C(/C=C(\COC)OCC)CN(C=O)CC1
InChIInChI=1S/C14H21NO3/c1-4-12-6-7-15(11-16)9-13(12)8-14(10-17-3)18-5-2/h4,8,11H,1,5-7,9-10H2,2-3H3/b14-8+
InChIKeyWTWXMOSEZTVQHX-RIYZIHGNSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds7

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

4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 139399524) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID139399524
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC=CC1=C(/C=C(\COC)OCC)CN(C=O)CC1
InChIInChI=1S/C14H21NO3/c1-4-12-6-7-15(11-16)9-13(12)8-14(10-17-3)18-5-2/h4,8,11H,1,5-7,9-10H2,2-3H3/b14-8+
InChIKeyWTWXMOSEZTVQHX-RIYZIHGNSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 139399524) is 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is C=CC1=C(/C=C(\COC)OCC)CN(C=O)CC1.
What is the InChIKey of 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is WTWXMOSEZTVQHX-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-12-6-7-15(11-16)9-13(12)8-14(10-17-3)18-5-2/h4,8,11H,1,5-7,9-10H2,2-3H3/b14-8+.
What are the key properties of 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 139399524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).