ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate

C8H11NO2 — CID 67943656

IUPACethenyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1C=CCCC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2,4,6H,1,3,5,7H2
InChIKeySBQJAPMVRNUPOT-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.88
Rot. Bonds1

About ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate

ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 67943656) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID67943656
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethenyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1C=CCCC1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2,4,6H,1,3,5,7H2
InChIKeySBQJAPMVRNUPOT-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Methyl 1,2,3,4-tetrahydropyridine-1-carboxylate
CID 11469123
1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
propyl 4H-pyridine-1-carboxylate
CID 17998218
allyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 58919294
3-Hex-5-en-3-yl-1,3-oxazol-2-one
CID 132538420
propan-2-yl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 141195045
2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 141267841
but-2-ynyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 141267861
butyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 162102120
3-[(4E)-hepta-4,6-dienyl]-1,3-oxazol-2-one
CID 11206121
methyl 2-methyl-3,4-dihydro-1(2H)-pyridinecarboxylate
CID 12896507

Frequently Asked Questions

What is the IUPAC name of ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 67943656) is ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate is C=COC(=O)N1C=CCCC1.
What is the InChIKey of ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SBQJAPMVRNUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2,4,6H,1,3,5,7H2.
What are the key properties of ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate?
ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67943656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).