tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane

C18H31NO2 — CID 91593031

IUPACtert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C16H25NO2.C2H6/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13;1-2/h7,9H,4-6,8,10-12H2,1-3H3;1-2H3
InChIKeyBRRDKOJUUKIWET-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.08
Rot. Bonds1

About tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane

tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane (PubChem CID 91593031) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
PubChem CID91593031
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nametert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C16H25NO2.C2H6/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13;1-2/h7,9H,4-6,8,10-12H2,1-3H3;1-2H3
InChIKeyBRRDKOJUUKIWET-UHFFFAOYSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
CID 163787093
tert-Butyl 6-(4,4-difluorocyclohex-1-en-1-yl)-3,4-dihydropyridine-1(2H)-carboxylate
CID 164752483
tert-butyl 4-tetradecyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11474452
Tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 72785032
tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72998872
t-Butyl 4-(3-methylbut-2-en-1-yl)-3,6-dihydro-pyridine-1(2h)-carboxylate
CID 129754490
t-Butyl 4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754520
tert-butyl 4-[2-(4,4-dimethylcyclohexen-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155935851
tert-butyl 4-(4,8-dimethylnona-3,7-dienyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155935852
tert-Butyl 4-(3,3,3-trifluoroprop-1-en-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 168023431

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane (CID 91593031) is tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC=C(C2=CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane?
The InChIKey is BRRDKOJUUKIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C2H6/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13;1-2/h7,9H,4-6,8,10-12H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane?
tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane has a molecular weight of 293.45 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane is sourced from PubChem (CID 91593031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).