5-pent-4-enoxypyridine-2-carbaldehyde

C11H13NO2 — CID 79794228

IUPAC5-pent-4-enoxypyridine-2-carbaldehyde
SMILESC=CCCCOc1ccc(C=O)nc1
InChIInChI=1S/C11H13NO2/c1-2-3-4-7-14-11-6-5-10(9-13)12-8-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyGYBLWEHNYVLNPX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.24
Rot. Bonds6

About 5-pent-4-enoxypyridine-2-carbaldehyde

5-pent-4-enoxypyridine-2-carbaldehyde (PubChem CID 79794228) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-pent-4-enoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-pent-4-enoxypyridine-2-carbaldehyde
PubChem CID79794228
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-pent-4-enoxypyridine-2-carbaldehyde
SMILESC=CCCCOc1ccc(C=O)nc1
InChIInChI=1S/C11H13NO2/c1-2-3-4-7-14-11-6-5-10(9-13)12-8-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyGYBLWEHNYVLNPX-UHFFFAOYSA-N
XLogP2.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835
(5-hept-6-enoxy-2-pyridinyl)methanamine
CID 107006235
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
CID 79793773
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-enoxypyridine-2-carbaldehyde?
The IUPAC name of 5-pent-4-enoxypyridine-2-carbaldehyde (CID 79794228) is 5-pent-4-enoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-pent-4-enoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-pent-4-enoxypyridine-2-carbaldehyde is C=CCCCOc1ccc(C=O)nc1.
What is the InChIKey of 5-pent-4-enoxypyridine-2-carbaldehyde?
The InChIKey is GYBLWEHNYVLNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-4-7-14-11-6-5-10(9-13)12-8-11/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 5-pent-4-enoxypyridine-2-carbaldehyde?
5-pent-4-enoxypyridine-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-enoxypyridine-2-carbaldehyde is sourced from PubChem (CID 79794228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).