tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H21NO3 — CID 135183409

IUPACtert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C)C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H21NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h6H,1,7-9H2,2-5H3
InChIKeyPLTOCLGIYPRRLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 135183409) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID135183409
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C)C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H21NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h6H,1,7-9H2,2-5H3
InChIKeyPLTOCLGIYPRRLZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 135183409) is tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=C(C)C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PLTOCLGIYPRRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h6H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylprop-2-enoyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 135183409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).