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

C9H15NO2 — CID 134994239

IUPACmethyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC(C)C=CC1C
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(2)10(6-7)9(11)12-3/h4-5,7-8H,6H2,1-3H3
InChIKeyCDSQLUWAQVAIBV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.65
Rot. Bonds

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

methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134994239) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134994239
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC(C)C=CC1C
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(2)10(6-7)9(11)12-3/h4-5,7-8H,6H2,1-3H3
InChIKeyCDSQLUWAQVAIBV-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.65
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
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 (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 11367034
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
methyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 10954470
methyl 6-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382556
Methyl 3,6-dihydro-4-methyl-1(2H)-pyridinecarboxylate
CID 12224401
methyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 12575840
Methyl 2-methyl-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 45089938
methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58745557
3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66706193

Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134994239) is methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC(C)C=CC1C.
What is the InChIKey of methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CDSQLUWAQVAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-5-8(2)10(6-7)9(11)12-3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134994239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).