tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate

C17H25NO2 — CID 170718670

IUPACtert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate
SMILESC=C1C=C(C2=CCCCC2)N(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-13-10-11-18(16(19)20-17(2,3)4)15(12-13)14-8-6-5-7-9-14/h8,12H,1,5-7,9-11H2,2-4H3
InChIKeyUYCSKRRZSJHVKO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.57
Rot. Bonds1

About tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate

tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate (PubChem CID 170718670) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate
PubChem CID170718670
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate
SMILESC=C1C=C(C2=CCCCC2)N(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-13-10-11-18(16(19)20-17(2,3)4)15(12-13)14-8-6-5-7-9-14/h8,12H,1,5-7,9-11H2,2-4H3
InChIKeyUYCSKRRZSJHVKO-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate (CID 170718670) is tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate is C=C1C=C(C2=CCCCC2)N(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate?
The InChIKey is UYCSKRRZSJHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-10-11-18(16(19)20-17(2,3)4)15(12-13)14-8-6-5-7-9-14/h8,12H,1,5-7,9-11H2,2-4H3.
What are the key properties of tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate?
tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(cyclohexen-1-yl)-4-methylidene-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 170718670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).