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

C10H17NO3 — CID 11845726

IUPACmethyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1=CCCN(C(=O)OC)C1OC
InChIInChI=1S/C10H17NO3/c1-4-8-6-5-7-11(9(8)13-2)10(12)14-3/h6,9H,4-5,7H2,1-3H3
InChIKeyYZPCDWQPGYNESQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds2

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

methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11845726) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11845726
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1=CCCN(C(=O)OC)C1OC
InChIInChI=1S/C10H17NO3/c1-4-8-6-5-7-11(9(8)13-2)10(12)14-3/h6,9H,4-5,7H2,1-3H3
InChIKeyYZPCDWQPGYNESQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12224400
CID 11298210
CID 11298210
2,2,2-trifluoroethyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114413630
ethyl 5-[(E)-but-2-en-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10608482
Methyl 3,6-dihydro-4-methyl-1(2H)-pyridinecarboxylate
CID 12224401
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
ethyl 4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57046336
tert-butyl (2R)-4-ethyl-2-formyloxy-2,5-dihydropyrrole-1-carboxylate
CID 58432490
butyl 5-(acetyloxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70180187
butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70323012
3-methylbut-2-enyl N-butyl-N-propylcarbamate
CID 89281491

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11845726) is methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is CCC1=CCCN(C(=O)OC)C1OC.
What is the InChIKey of methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YZPCDWQPGYNESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-8-6-5-7-11(9(8)13-2)10(12)14-3/h6,9H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11845726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).