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

C8H13NO2 — CID 91394906

IUPACmethyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=CCC1C
InChIInChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyWKVMAUXRBSXJMY-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.40
Rot. Bonds

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

methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 91394906) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID91394906
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=CCC1C
InChIInChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyWKVMAUXRBSXJMY-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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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 N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
CID 139266068
ethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 232669
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
methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134994239
methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162398002
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 91394906) is methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC=CCC1C.
What is the InChIKey of methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WKVMAUXRBSXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 2-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 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 91394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).