methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate

C11H13NO2 — CID 5373640

IUPACmethyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate
SMILESCCc1ccc(/C=C/C(=O)OC)nc1
InChIInChI=1S/C11H13NO2/c1-3-9-4-5-10(12-8-9)6-7-11(13)14-2/h4-8H,3H2,1-2H3/b7-6+
InChIKeyKACLJMGTRAFRKO-VOTSOKGWSA-N
MW191.23 g/mol
LogP1.83
Rot. Bonds3

About methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate

methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate (PubChem CID 5373640) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate
PubChem CID5373640
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate
SMILESCCc1ccc(/C=C/C(=O)OC)nc1
InChIInChI=1S/C11H13NO2/c1-3-9-4-5-10(12-8-9)6-7-11(13)14-2/h4-8H,3H2,1-2H3/b7-6+
InChIKeyKACLJMGTRAFRKO-VOTSOKGWSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate 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 (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate (CID 5373640) is methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate is CCc1ccc(/C=C/C(=O)OC)nc1.
What is the InChIKey of methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate?
The InChIKey is KACLJMGTRAFRKO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-9-4-5-10(12-8-9)6-7-11(13)14-2/h4-8H,3H2,1-2H3/b7-6+.
What are the key properties of methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate?
methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(5-ethyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 5373640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).