methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate

C10H15NO2 — CID 579056

IUPACmethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate
SMILESCOC(=O)C1C=CC2CCC1N2C
InChIInChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3
InChIKeyYAAXTUJIWSRZPN-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.81
Rot. Bonds1

About methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate

methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate (PubChem CID 579056) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate
PubChem CID579056
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate
SMILESCOC(=O)C1C=CC2CCC1N2C
InChIInChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3
InChIKeyYAAXTUJIWSRZPN-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.81
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

Methyl 6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134979743
ethyl (1R,6S)-6-(2,6-dimethylhept-5-enyl)-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134979914
methyl (1R,6S)-6-(2,6-dimethylhept-5-enyl)-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980404
methyl (5R,6R)-5-methyl-6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134980713
Methyl 5,5-dimethyl-6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134980803
Methyl 5-pyrrolidin-1-ylspiro[5.5]undec-2-ene-4-carboxylate
CID 134980804
Methyl 2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980809
methyl (1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980810
methyl (5S,6R)-5-methyl-6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134992140
(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid;hydrochloride
CID 21118679
Methyl 2-(6-pyrrolidin-1-ylcyclohexen-1-yl)propanoate
CID 54025030
(1R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
CID 21118680

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate?
The IUPAC name of methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate (CID 579056) is methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate?
The canonical SMILES for methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate is COC(=O)C1C=CC2CCC1N2C.
What is the InChIKey of methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate?
The InChIKey is YAAXTUJIWSRZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate?
methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate is sourced from PubChem (CID 579056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).