pent-4-enyl 4H-pyridine-1-carboxylate

C11H15NO2 — CID 15370812

IUPACpent-4-enyl 4H-pyridine-1-carboxylate
SMILESC=CCCCOC(=O)N1C=CCC=C1
InChIInChI=1S/C11H15NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,5-6,8-9H,1,3-4,7,10H2
InChIKeyBRUPAQDFZSEWKG-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.82
Rot. Bonds4

About pent-4-enyl 4H-pyridine-1-carboxylate

pent-4-enyl 4H-pyridine-1-carboxylate (PubChem CID 15370812) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is pent-4-enyl 4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepent-4-enyl 4H-pyridine-1-carboxylate
PubChem CID15370812
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namepent-4-enyl 4H-pyridine-1-carboxylate
SMILESC=CCCCOC(=O)N1C=CCC=C1
InChIInChI=1S/C11H15NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,5-6,8-9H,1,3-4,7,10H2
InChIKeyBRUPAQDFZSEWKG-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-enyl 4H-pyridine-1-carboxylate?
The IUPAC name of pent-4-enyl 4H-pyridine-1-carboxylate (CID 15370812) is pent-4-enyl 4H-pyridine-1-carboxylate.
What is the SMILES notation for pent-4-enyl 4H-pyridine-1-carboxylate?
The canonical SMILES for pent-4-enyl 4H-pyridine-1-carboxylate is C=CCCCOC(=O)N1C=CCC=C1.
What is the InChIKey of pent-4-enyl 4H-pyridine-1-carboxylate?
The InChIKey is BRUPAQDFZSEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,5-6,8-9H,1,3-4,7,10H2.
What are the key properties of pent-4-enyl 4H-pyridine-1-carboxylate?
pent-4-enyl 4H-pyridine-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl 4H-pyridine-1-carboxylate is sourced from PubChem (CID 15370812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).