prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C13H19NO4 — CID 15117224

IUPACprop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CCC=C(C2(C)OCCO2)C1
InChIInChI=1S/C13H19NO4/c1-3-7-16-12(15)14-6-4-5-11(10-14)13(2)17-8-9-18-13/h3,5H,1,4,6-10H2,2H3
InChIKeyLSDCXRXFANOOAX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.70
Rot. Bonds3

About prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15117224) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID15117224
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameprop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CCC=C(C2(C)OCCO2)C1
InChIInChI=1S/C13H19NO4/c1-3-7-16-12(15)14-6-4-5-11(10-14)13(2)17-8-9-18-13/h3,5H,1,4,6-10H2,2H3
InChIKeyLSDCXRXFANOOAX-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.70
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 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 15117224) is prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)N1CCC=C(C2(C)OCCO2)C1.
What is the InChIKey of prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LSDCXRXFANOOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-7-16-12(15)14-6-4-5-11(10-14)13(2)17-8-9-18-13/h3,5H,1,4,6-10H2,2H3.
What are the key properties of prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15117224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).