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

C9H15NO2 — CID 141157642

IUPACmethyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1CC=CCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPUKXMJAXGAMBTG-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds1

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

methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141157642) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID141157642
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1CC=CCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPUKXMJAXGAMBTG-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
CID 145010
1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
CID 139266068
ethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 232669
methyl 3,4,5,8-tetrahydro-1H-isoquinoline-2-carboxylate
CID 155934530
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
Methyl 7-azabicyclo[4.1.0]hept-3-ene-7-carboxylate
CID 45090129
tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72996213

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 141157642) is methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCC1CC=CCN1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PUKXMJAXGAMBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141157642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).