ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate

C10H17NO2 — CID 123655285

IUPACethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)CC=NC1C
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-11-8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyVVQLCWDJTGNPOF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.66
Rot. Bonds2

About ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate

ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate (PubChem CID 123655285) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
PubChem CID123655285
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)CC=NC1C
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-11-8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyVVQLCWDJTGNPOF-UHFFFAOYSA-N
XLogP1.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate (CID 123655285) is ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate is CCOC(=O)C1C(C)CC=NC1C.
What is the InChIKey of ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The InChIKey is VVQLCWDJTGNPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-13-10(12)9-7(2)5-6-11-8(9)3/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate is sourced from PubChem (CID 123655285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).