ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate

C11H17NO2 — CID 10262065

IUPACethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC=CC1CC
InChIInChI=1S/C11H17NO2/c1-4-9-6-7-12-8(3)10(9)11(13)14-5-2/h6-7,9,12H,4-5H2,1-3H3
InChIKeyYKCANBCSPDRPIO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.97
Rot. Bonds3

About ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate

ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 10262065) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
PubChem CID10262065
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC=CC1CC
InChIInChI=1S/C11H17NO2/c1-4-9-6-7-12-8(3)10(9)11(13)14-5-2/h6-7,9,12H,4-5H2,1-3H3
InChIKeyYKCANBCSPDRPIO-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate (CID 10262065) is ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(C)NC=CC1CC.
What is the InChIKey of ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is YKCANBCSPDRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-9-6-7-12-8(3)10(9)11(13)14-5-2/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate?
ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 10262065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).