prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate

C11H13NO3 — CID 142096604

IUPACprop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate
SMILESC=CCOC(=O)c1cc(COC)ccn1
InChIInChI=1S/C11H13NO3/c1-3-6-15-11(13)10-7-9(8-14-2)4-5-12-10/h3-5,7H,1,6,8H2,2H3
InChIKeyFKVDZHNDNOCNKK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.57
Rot. Bonds5

About prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate

prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate (PubChem CID 142096604) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate
PubChem CID142096604
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameprop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate
SMILESC=CCOC(=O)c1cc(COC)ccn1
InChIInChI=1S/C11H13NO3/c1-3-6-15-11(13)10-7-9(8-14-2)4-5-12-10/h3-5,7H,1,6,8H2,2H3
InChIKeyFKVDZHNDNOCNKK-UHFFFAOYSA-N
XLogP1.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate?
The IUPAC name of prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate (CID 142096604) is prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate?
The canonical SMILES for prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate is C=CCOC(=O)c1cc(COC)ccn1.
What is the InChIKey of prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate?
The InChIKey is FKVDZHNDNOCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-6-15-11(13)10-7-9(8-14-2)4-5-12-10/h3-5,7H,1,6,8H2,2H3.
What are the key properties of prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate?
prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(methoxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 142096604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).