ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C12H19NO2 — CID 10608482

IUPACethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C(\C)C1=CCCN(C(=O)OCC)C1
InChIInChI=1S/C12H19NO2/c1-4-10(3)11-7-6-8-13(9-11)12(14)15-5-2/h4,7H,5-6,8-9H2,1-3H3/b10-4+
InChIKeyBNMSIBSYMUTSND-ONNFQVAWSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds2

About ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10608482) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID10608482
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C(\C)C1=CCCN(C(=O)OCC)C1
InChIInChI=1S/C12H19NO2/c1-4-10(3)11-7-6-8-13(9-11)12(14)15-5-2/h4,7H,5-6,8-9H2,1-3H3/b10-4+
InChIKeyBNMSIBSYMUTSND-ONNFQVAWSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.74
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
ethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 232669
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4,5-dimethyl-, ethyl ester
CID 12224398
ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12224400
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
2,2,2-trifluoroethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 115766531
2,2-difluoroethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121451627
ethane;2,2,2-trifluoroethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144802343
tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101443883
propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134994183

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 10608482) is ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is C/C=C(\C)C1=CCCN(C(=O)OCC)C1.
What is the InChIKey of ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BNMSIBSYMUTSND-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10(3)11-7-6-8-13(9-11)12(14)15-5-2/h4,7H,5-6,8-9H2,1-3H3/b10-4+.
What are the key properties of ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10608482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).