4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate

C13H19NO3 — CID 123916373

IUPAC4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate
SMILESC=COCCCCOC(=O)N1C=CC(C)C=C1
InChIInChI=1S/C13H19NO3/c1-3-16-10-4-5-11-17-13(15)14-8-6-12(2)7-9-14/h3,6-9,12H,1,4-5,10-11H2,2H3
InChIKeyPQGRIPSWZNZBSL-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.04
Rot. Bonds6

About 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate

4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate (PubChem CID 123916373) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Name4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate
PubChem CID123916373
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate
SMILESC=COCCCCOC(=O)N1C=CC(C)C=C1
InChIInChI=1S/C13H19NO3/c1-3-16-10-4-5-11-17-13(15)14-8-6-12(2)7-9-14/h3,6-9,12H,1,4-5,10-11H2,2H3
InChIKeyPQGRIPSWZNZBSL-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
Ethyl 4,4-dimethylpyridine-1-carboxylate
CID 12391526
methyl 4-methyl-4H-pyridine-1-carboxylate
CID 12220932
propyl 4H-pyridine-1-carboxylate
CID 17998218
trimethyl-[2-(4-methyl-4H-pyridine-1-carbonyl)oxyethyl]azanium
CID 123307558
ethyl N-[(1E)-hexa-1,5-dienyl]-N-methylcarbamate
CID 10797543
ethyl N-methyl-N-[(1E)-3-methylhexa-1,5-dienyl]carbamate
CID 10797991
tert-butyl 4-methyl-4H-pyridine-1-carboxylate
CID 10798121
ethyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12885280
Ethyl 4-(prop-2-en-1-yl)pyridine-1(4H)-carboxylate
CID 13427483
ethyl 4-but-3-enyl-4H-pyridine-1-carboxylate
CID 15093743
pent-4-enyl 4H-pyridine-1-carboxylate
CID 15370812

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate?
The IUPAC name of 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate (CID 123916373) is 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate?
The canonical SMILES for 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate is C=COCCCCOC(=O)N1C=CC(C)C=C1.
What is the InChIKey of 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate?
The InChIKey is PQGRIPSWZNZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-16-10-4-5-11-17-13(15)14-8-6-12(2)7-9-14/h3,6-9,12H,1,4-5,10-11H2,2H3.
What are the key properties of 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate?
4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutyl 4-methyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 123916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).