2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate

C9H15NO3 — CID 141267841

IUPAC2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOCCOC(=O)N1C=CCCC1
InChIInChI=1S/C9H15NO3/c1-12-7-8-13-9(11)10-5-3-2-4-6-10/h3,5H,2,4,6-8H2,1H3
InChIKeyKNBCWVPLRMXZNB-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.38
Rot. Bonds3

About 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate

2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141267841) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID141267841
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOCCOC(=O)N1C=CCCC1
InChIInChI=1S/C9H15NO3/c1-12-7-8-13-9(11)10-5-3-2-4-6-10/h3,5H,2,4,6-8H2,1H3
InChIKeyKNBCWVPLRMXZNB-UHFFFAOYSA-N
XLogP1.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 141267841) is 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate is COCCOC(=O)N1C=CCCC1.
What is the InChIKey of 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KNBCWVPLRMXZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-7-8-13-9(11)10-5-3-2-4-6-10/h3,5H,2,4,6-8H2,1H3.
What are the key properties of 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate?
2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141267841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).