tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane

C16H27NO4 — CID 159527865

IUPACtert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane
SMILESC.C=CC1=C(CC)CCN(C(=O)OC(C)(C)C)C1.O=C=O
InChIInChI=1S/C14H23NO2.CO2.CH4/c1-6-11-8-9-15(10-12(11)7-2)13(16)17-14(3,4)5;2-1-3;/h7H,2,6,8-10H2,1,3-5H3;;1H4
InChIKeyMCPMONXWANHQMG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane

tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane (PubChem CID 159527865) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane
PubChem CID159527865
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Nametert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane
SMILESC.C=CC1=C(CC)CCN(C(=O)OC(C)(C)C)C1.O=C=O
InChIInChI=1S/C14H23NO2.CO2.CH4/c1-6-11-8-9-15(10-12(11)7-2)13(16)17-14(3,4)5;2-1-3;/h7H,2,6,8-10H2,1,3-5H3;;1H4
InChIKeyMCPMONXWANHQMG-UHFFFAOYSA-N
XLogP3.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162757444
tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane
CID 142428449
tert-butyl 4-(chloromethyl)-5-fluoro-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135152108
tert-butyl 3-ethyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;carbon dioxide
CID 160686710
tert-butyl 5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;bis(carbon dioxide)
CID 158769325
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 3-(cyanomethylidene)pyrrolidine-1-carboxylate
CID 67451704
tert-butyl 2-ethenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 169082423
tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
CID 162764911
tert-butyl (3Z)-3-(1-hydroxypropylidene)-4-oxopiperidine-1-carboxylate
CID 164822270

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane?
The IUPAC name of tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane (CID 159527865) is tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane.
What is the SMILES notation for tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane?
The canonical SMILES for tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane is C.C=CC1=C(CC)CCN(C(=O)OC(C)(C)C)C1.O=C=O.
What is the InChIKey of tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane?
The InChIKey is MCPMONXWANHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.CO2.CH4/c1-6-11-8-9-15(10-12(11)7-2)13(16)17-14(3,4)5;2-1-3;/h7H,2,6,8-10H2,1,3-5H3;;1H4.
What are the key properties of tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane?
tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane has a molecular weight of 297.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane is sourced from PubChem (CID 159527865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).