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

C16H25NO2 — CID 72996213

IUPACtert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CCC(CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-6-9-13-11-8-12-14(10-7-2)17(13)15(18)19-16(3,4)5/h6-8,11,13-14H,1-2,9-10,12H2,3-5H3
InChIKeyPZHHVCOQNQXTIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.07
Rot. Bonds4

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

tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 72996213) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID72996213
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CCC(CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-6-9-13-11-8-12-14(10-7-2)17(13)15(18)19-16(3,4)5/h6-8,11,13-14H,1-2,9-10,12H2,3-5H3
InChIKeyPZHHVCOQNQXTIX-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.07
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

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CID 12969195
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CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
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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
N-t-butoxycarbonyl-8-bromo-10-azabicyclo[4.3.1]deca-3,7-diene
CID 73050129
tert-Butyl 4-(tributylstannyl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 12094207
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 72996213) is tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCC1C=CCC(CC=C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PZHHVCOQNQXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-9-13-11-8-12-14(10-7-2)17(13)15(18)19-16(3,4)5/h6-8,11,13-14H,1-2,9-10,12H2,3-5H3.
What are the key properties of tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 72996213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).