tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H29NO4 — CID 175370662

IUPACtert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1OC(C)(C2=CCN(C(=O)OC(C)(C)C)CC2)OC1(C)C
InChIInChI=1S/C17H29NO4/c1-12-16(5,6)22-17(7,20-12)13-8-10-18(11-9-13)14(19)21-15(2,3)4/h8,12H,9-11H2,1-7H3
InChIKeyCLWJIEMLLGCVCT-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 175370662) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID175370662
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Nametert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1OC(C)(C2=CCN(C(=O)OC(C)(C)C)CC2)OC1(C)C
InChIInChI=1S/C17H29NO4/c1-12-16(5,6)22-17(7,20-12)13-8-10-18(11-9-13)14(19)21-15(2,3)4/h8,12H,9-11H2,1-7H3
InChIKeyCLWJIEMLLGCVCT-UHFFFAOYSA-N
XLogP3.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.48
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 tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 175370662) is tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC1OC(C)(C2=CCN(C(=O)OC(C)(C)C)CC2)OC1(C)C.
What is the InChIKey of tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CLWJIEMLLGCVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-12-16(5,6)22-17(7,20-12)13-8-10-18(11-9-13)14(19)21-15(2,3)4/h8,12H,9-11H2,1-7H3.
What are the key properties of tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 311.42 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 175370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).