6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde

C14H17NO3 — CID 26384987

IUPAC6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(/C=C/CO[C@@H]2CCCCO2)n1
InChIInChI=1S/C14H17NO3/c16-11-13-6-3-5-12(15-13)7-4-10-18-14-8-1-2-9-17-14/h3-7,11,14H,1-2,8-10H2/b7-4+/t14-/m1/s1
InChIKeyPBOIXPJOANTEBX-BTKRWWFXSA-N
MW247.29 g/mol
LogP2.45
Rot. Bonds5

About 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde

6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde (PubChem CID 26384987) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
PubChem CID26384987
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(/C=C/CO[C@@H]2CCCCO2)n1
InChIInChI=1S/C14H17NO3/c16-11-13-6-3-5-12(15-13)7-4-10-18-14-8-1-2-9-17-14/h3-7,11,14H,1-2,8-10H2/b7-4+/t14-/m1/s1
InChIKeyPBOIXPJOANTEBX-BTKRWWFXSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-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

2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
CID 11346235
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
CID 11356947
[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
CID 163750815
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
(E,3S)-6-(oxan-2-yloxy)-3-phenylmethoxyhex-4-enal
CID 46928728
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde (CID 26384987) is 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde is O=Cc1cccc(/C=C/CO[C@@H]2CCCCO2)n1.
What is the InChIKey of 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde?
The InChIKey is PBOIXPJOANTEBX-BTKRWWFXSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-13-6-3-5-12(15-13)7-4-10-18-14-8-1-2-9-17-14/h3-7,11,14H,1-2,8-10H2/b7-4+/t14-/m1/s1.
What are the key properties of 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde?
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde has a molecular weight of 247.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 26384987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).