1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate

C14H17NO4 — CID 58973662

IUPAC1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate
SMILESC=Cc1cncc(CC(=O)OC(C)OC(=O)CC)c1
InChIInChI=1S/C14H17NO4/c1-4-11-6-12(9-15-8-11)7-14(17)19-10(3)18-13(16)5-2/h4,6,8-10H,1,5,7H2,2-3H3
InChIKeyQSZAWWKSRHJADG-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate

1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate (PubChem CID 58973662) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate.

Molecular Properties

Compound Name1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate
PubChem CID58973662
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate
SMILESC=Cc1cncc(CC(=O)OC(C)OC(=O)CC)c1
InChIInChI=1S/C14H17NO4/c1-4-11-6-12(9-15-8-11)7-14(17)19-10(3)18-13(16)5-2/h4,6,8-10H,1,5,7H2,2-3H3
InChIKeyQSZAWWKSRHJADG-UHFFFAOYSA-N
XLogP2.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate?
The IUPAC name of 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate (CID 58973662) is 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate.
What is the SMILES notation for 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate?
The canonical SMILES for 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate is C=Cc1cncc(CC(=O)OC(C)OC(=O)CC)c1.
What is the InChIKey of 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate?
The InChIKey is QSZAWWKSRHJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-11-6-12(9-15-8-11)7-14(17)19-10(3)18-13(16)5-2/h4,6,8-10H,1,5,7H2,2-3H3.
What are the key properties of 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate?
1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate has a molecular weight of 263.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethenyl-3-pyridinyl)acetyl]oxyethyl propanoate is sourced from PubChem (CID 58973662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).