prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H15NO3 — CID 15117213

IUPACprop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=C(C(C)=O)CC1
InChIInChI=1S/C11H15NO3/c1-3-8-15-11(14)12-6-4-10(5-7-12)9(2)13/h3-4H,1,5-8H2,2H3
InChIKeyYYWTYIBSFKCELZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.53
Rot. Bonds3

About prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate

prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15117213) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID15117213
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameprop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=C(C(C)=O)CC1
InChIInChI=1S/C11H15NO3/c1-3-8-15-11(14)12-6-4-10(5-7-12)9(2)13/h3-4H,1,5-8H2,2H3
InChIKeyYYWTYIBSFKCELZ-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 15117213) is prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)N1CC=C(C(C)=O)CC1.
What is the InChIKey of prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YYWTYIBSFKCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-8-15-11(14)12-6-4-10(5-7-12)9(2)13/h3-4H,1,5-8H2,2H3.
What are the key properties of prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-acetyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).