ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate

C12H19NO2 — CID 90317966

IUPACethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C(C)C)C(C)=C1
InChIInChI=1S/C12H19NO2/c1-5-15-12(14)13-7-6-11(9(2)3)10(4)8-13/h6-9,11H,5H2,1-4H3
InChIKeyFGKBPUWMVZQYDL-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.15
Rot. Bonds2

About ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate

ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate (PubChem CID 90317966) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate
PubChem CID90317966
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C(C)C)C(C)=C1
InChIInChI=1S/C12H19NO2/c1-5-15-12(14)13-7-6-11(9(2)3)10(4)8-13/h6-9,11H,5H2,1-4H3
InChIKeyFGKBPUWMVZQYDL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate (CID 90317966) is ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C(C)C)C(C)=C1.
What is the InChIKey of ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate?
The InChIKey is FGKBPUWMVZQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-15-12(14)13-7-6-11(9(2)3)10(4)8-13/h6-9,11H,5H2,1-4H3.
What are the key properties of ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate?
ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-propan-2-yl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 90317966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).