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

C14H23NO2 — CID 10633635

IUPAC2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C(\C)C1=CCCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C14H23NO2/c1-5-12(4)13-7-6-8-15(9-13)14(16)17-10-11(2)3/h5,7,11H,6,8-10H2,1-4H3/b12-5+
InChIKeyUELXWCZMFODVEX-LFYBBSHMSA-N
MW237.34 g/mol
LogP3.38
Rot. Bonds3

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

2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10633635) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID10633635
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC/C=C(\C)C1=CCCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C14H23NO2/c1-5-12(4)13-7-6-8-15(9-13)14(16)17-10-11(2)3/h5,7,11H,6,8-10H2,1-4H3/b12-5+
InChIKeyUELXWCZMFODVEX-LFYBBSHMSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 10633635) is 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is C/C=C(\C)C1=CCCN(C(=O)OCC(C)C)C1.
What is the InChIKey of 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UELXWCZMFODVEX-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(4)13-7-6-8-15(9-13)14(16)17-10-11(2)3/h5,7,11H,6,8-10H2,1-4H3/b12-5+.
What are the key properties of 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10633635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).