tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H27NO2 — CID 72998872

IUPACtert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=C(C)CC(CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-9-14-11-13(3)12-15(10-8-2)18(14)16(19)20-17(4,5)6/h7-8,11,14-15H,1-2,9-10,12H2,3-6H3
InChIKeyRRRNNPFIGUJZFO-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 72998872) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID72998872
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=C(C)CC(CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-9-14-11-13(3)12-15(10-8-2)18(14)16(19)20-17(4,5)6/h7-8,11,14-15H,1-2,9-10,12H2,3-6H3
InChIKeyRRRNNPFIGUJZFO-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.46
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 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate
CID 134842827
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
tert-Butyl 3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 68306290
4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 72998872) is tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCC1C=C(C)CC(CC=C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RRRNNPFIGUJZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-9-14-11-13(3)12-15(10-8-2)18(14)16(19)20-17(4,5)6/h7-8,11,14-15H,1-2,9-10,12H2,3-6H3.
What are the key properties of tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 277.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 72998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).