5-pyridin-4-ylpentyl prop-2-enoate

C13H17NO2 — CID 122214790

IUPAC5-pyridin-4-ylpentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCc1ccncc1
InChIInChI=1S/C13H17NO2/c1-2-13(15)16-11-5-3-4-6-12-7-9-14-10-8-12/h2,7-10H,1,3-6,11H2
InChIKeyUZYUYUTYDJAXQZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds7

About 5-pyridin-4-ylpentyl prop-2-enoate

5-pyridin-4-ylpentyl prop-2-enoate (PubChem CID 122214790) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-pyridin-4-ylpentyl prop-2-enoate.

Molecular Properties

Compound Name5-pyridin-4-ylpentyl prop-2-enoate
PubChem CID122214790
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-pyridin-4-ylpentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCc1ccncc1
InChIInChI=1S/C13H17NO2/c1-2-13(15)16-11-5-3-4-6-12-7-9-14-10-8-12/h2,7-10H,1,3-6,11H2
InChIKeyUZYUYUTYDJAXQZ-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
6-[3-(6-hydroxyhexyl)phenyl]hexyl prop-2-enoate
CID 89073143
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
CID 11087244
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
6-[4-[diamino-[3-[diamino-[4-(6-prop-2-enoyloxyhexyl)phenyl]methoxy]phenoxy]methyl]phenyl]hexyl prop-2-enoate
CID 158591215

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylpentyl prop-2-enoate?
The IUPAC name of 5-pyridin-4-ylpentyl prop-2-enoate (CID 122214790) is 5-pyridin-4-ylpentyl prop-2-enoate.
What is the SMILES notation for 5-pyridin-4-ylpentyl prop-2-enoate?
The canonical SMILES for 5-pyridin-4-ylpentyl prop-2-enoate is C=CC(=O)OCCCCCc1ccncc1.
What is the InChIKey of 5-pyridin-4-ylpentyl prop-2-enoate?
The InChIKey is UZYUYUTYDJAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-13(15)16-11-5-3-4-6-12-7-9-14-10-8-12/h2,7-10H,1,3-6,11H2.
What are the key properties of 5-pyridin-4-ylpentyl prop-2-enoate?
5-pyridin-4-ylpentyl prop-2-enoate has a molecular weight of 219.28 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylpentyl prop-2-enoate is sourced from PubChem (CID 122214790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).