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

C8H13NO2 — CID 58745557

IUPACmethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C(C)C1
InChIInChI=1S/C8H13NO2/c1-7-4-3-5-9(6-7)8(10)11-2/h4H,3,5-6H2,1-2H3
InChIKeyMMFKFDZSKNNVRL-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.40
Rot. Bonds

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

methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58745557) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58745557
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C(C)C1
InChIInChI=1S/C8H13NO2/c1-7-4-3-5-9(6-7)8(10)11-2/h4H,3,5-6H2,1-2H3
InChIKeyMMFKFDZSKNNVRL-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58745557) is methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CCC=C(C)C1.
What is the InChIKey of methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is MMFKFDZSKNNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-4-3-5-9(6-7)8(10)11-2/h4H,3,5-6H2,1-2H3.
What are the key properties of methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58745557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).