methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

C9H16ClNO2 — CID 3087494

IUPACmethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCN1CCC=C(C(=O)OC)C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-10-6-4-5-8(7-10)9(11)12-2;/h5H,3-4,6-7H2,1-2H3;1H
InChIKeyRVIFACSYNHMHAC-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.23
Rot. Bonds2

About methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (PubChem CID 3087494) has the molecular formula C9H16ClNO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
PubChem CID3087494
Molecular FormulaC9H16ClNO2
Molecular Weight205.69 g/mol
Exact Mass205.09
IUPAC Namemethyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCN1CCC=C(C(=O)OC)C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-10-6-4-5-8(7-10)9(11)12-2;/h5H,3-4,6-7H2,1-2H3;1H
InChIKeyRVIFACSYNHMHAC-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The IUPAC name of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (CID 3087494) is methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is CCN1CCC=C(C(=O)OC)C1.Cl.
What is the InChIKey of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The InChIKey is RVIFACSYNHMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-3-10-6-4-5-8(7-10)9(11)12-2;/h5H,3-4,6-7H2,1-2H3;1H.
What are the key properties of methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 3087494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).