tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO2 — CID 162761492

IUPACtert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1C=CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h5,7,9H,6,8H2,1-4H3/t9-/m0/s1
InChIKeyLEQZBNYETJGDPU-VIFPVBQESA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds

About tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 162761492) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID162761492
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1C=CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h5,7,9H,6,8H2,1-4H3/t9-/m0/s1
InChIKeyLEQZBNYETJGDPU-VIFPVBQESA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 14868063
tert-butyl 6-aminosulfanyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 151672294
tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153326433
tert-butyl 2,5-dimethyl-2,5-dihydropyrrole-1-carboxylate
CID 133054170
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
tert-butyl 3-amino-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 175203709
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl 6-(5-acetylpyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154635745
tert-butyl (6S)-6-(4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163661065
ditert-butyl 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine-1,4-dicarboxylate
CID 22609586
tert-butyl 2-methyl-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 118638593

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 162761492) is tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is C[C@H]1C=CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LEQZBNYETJGDPU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h5,7,9H,6,8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 162761492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).