methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate

C10H13NO2 — CID 13382555

IUPACmethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C10H13NO2/c1-3-4-9-5-7-11(8-6-9)10(12)13-2/h3,5-9H,1,4H2,2H3
InChIKeyXXNDQFSXPKYAJU-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.29
Rot. Bonds2

About methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate

methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate (PubChem CID 13382555) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
PubChem CID13382555
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C10H13NO2/c1-3-4-9-5-7-11(8-6-9)10(12)13-2/h3,5-9H,1,4H2,2H3
InChIKeyXXNDQFSXPKYAJU-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate 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 methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate (CID 13382555) is methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate is C=CCC1C=CN(C(=O)OC)C=C1.
What is the InChIKey of methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The InChIKey is XXNDQFSXPKYAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-4-9-5-7-11(8-6-9)10(12)13-2/h3,5-9H,1,4H2,2H3.
What are the key properties of methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 13382555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).