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

C16H25NO2 — CID 21025653

IUPACtert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C16H25NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h7,9H,4-6,8,10-12H2,1-3H3
InChIKeyWRAUALVRGBUIPZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.05
Rot. Bonds1

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

tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 21025653) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID21025653
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=CCCCC2)CC1
InChIInChI=1S/C16H25NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h7,9H,4-6,8,10-12H2,1-3H3
InChIKeyWRAUALVRGBUIPZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 21025653) is tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is 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?
The InChIKey is WRAUALVRGBUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h7,9H,4-6,8,10-12H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 4.05, 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 is sourced from PubChem (CID 21025653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).