tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C16H27NO2 — CID 11346130

IUPACtert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCC/C=C/C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-11-14-12-9-10-13-17(14)15(18)19-16(2,3)4/h8,11-12H,5-7,9-10,13H2,1-4H3/b11-8+
InChIKeyLTCIEVZTXFYZSJ-DHZHZOJOSA-N
MW265.40 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11346130) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID11346130
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nametert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCC/C=C/C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-11-14-12-9-10-13-17(14)15(18)19-16(2,3)4/h8,11-12H,5-7,9-10,13H2,1-4H3/b11-8+
InChIKeyLTCIEVZTXFYZSJ-DHZHZOJOSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
1-(tert-Butoxycarbonyl)-4-chloro-6-methyl-2-n-undecyl-1,2-dihydropyridine
CID 14892337
Tert-butyl 3-methylidene-2,6-dihydropyridine-1-carboxylate
CID 68076879
tert-Butyl 4-vinyl-3,6-dihydropyridine-1(2H)-carboxylate
CID 69069403
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-Butyl 6-(4,4-difluorocyclohex-1-en-1-yl)-3,4-dihydropyridine-1(2H)-carboxylate
CID 164752483
tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
CID 11042768
Tert-butyl 7-ethenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11333557
tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72996213
tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72998872
tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101443883
tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
CID 122392020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 11346130) is tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is CCCC/C=C/C1=CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LTCIEVZTXFYZSJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-8-11-14-12-9-10-13-17(14)15(18)19-16(2,3)4/h8,11-12H,5-7,9-10,13H2,1-4H3/b11-8+.
What are the key properties of tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11346130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).