tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C13H21NO2 — CID 141175200

IUPACtert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(C)N(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H21NO2/c1-6-11-7-8-14(10(2)9-11)12(15)16-13(3,4)5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyHMIIOLOSZXUUPI-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141175200) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID141175200
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(C)N(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H21NO2/c1-6-11-7-8-14(10(2)9-11)12(15)16-13(3,4)5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyHMIIOLOSZXUUPI-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
Tert-butyl 3-methylidene-2,6-dihydropyridine-1-carboxylate
CID 68076879
tert-Butyl 3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 68306290
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 2-methyl-3-(trifluoromethyl)-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
CID 20669026
tert-butyl 4-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]piperazine-1-carboxylate
CID 144144774
tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
CID 163787093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 141175200) is tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=CC(C)N(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HMIIOLOSZXUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-6-11-7-8-14(10(2)9-11)12(15)16-13(3,4)5/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141175200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).