tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO3 — CID 14868063

IUPACtert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1C=CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h5,7,9H,6,8H2,1-4H3
InChIKeyHTHXBPSZVRRBFZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 14868063) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID14868063
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1C=CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h5,7,9H,6,8H2,1-4H3
InChIKeyHTHXBPSZVRRBFZ-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153326433
tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162761492
tert-butyl 6-aminosulfanyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 151672294
tert-butyl (6S)-6-(4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163661065
tert-butyl 3-amino-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 175203709
tert-butyl 6-(5-acetylpyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154635745
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl (6S)-5,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154953281
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
CID 57362699
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 14868063) is tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is COC1C=CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HTHXBPSZVRRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h5,7,9H,6,8H2,1-4H3.
What are the key properties of tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 14868063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).