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

C16H27NO2 — CID 101060734

IUPACtert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC/C=C(\CC)C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-10-13(7-2)14-11-8-9-12-17(14)15(18)19-16(3,4)5/h10-11H,6-9,12H2,1-5H3/b13-10+
InChIKeyYNBBEEQYYZWEAH-JLHYYAGUSA-N
MW265.40 g/mol
LogP4.65
Rot. Bonds3

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

tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101060734) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101060734
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nametert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC/C=C(\CC)C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-10-13(7-2)14-11-8-9-12-17(14)15(18)19-16(3,4)5/h10-11H,6-9,12H2,1-5H3/b13-10+
InChIKeyYNBBEEQYYZWEAH-JLHYYAGUSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101060734) is tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is CC/C=C(\CC)C1=CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YNBBEEQYYZWEAH-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-10-13(7-2)14-11-8-9-12-17(14)15(18)19-16(3,4)5/h10-11H,6-9,12H2,1-5H3/b13-10+.
What are the key properties of tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 4.65, 3 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-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101060734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).