methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate

C10H15NO2 — CID 101191580

IUPACmethyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate
SMILESCOC(=O)C1=C[C@@H]2CC[C@H](C1)N2C
InChIInChI=1S/C10H15NO2/c1-11-8-3-4-9(11)6-7(5-8)10(12)13-2/h5,8-9H,3-4,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyFYAWDZAJPHUASX-DTWKUNHWSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds1

About methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate

methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate (PubChem CID 101191580) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate
PubChem CID101191580
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate
SMILESCOC(=O)C1=C[C@@H]2CC[C@H](C1)N2C
InChIInChI=1S/C10H15NO2/c1-11-8-3-4-9(11)6-7(5-8)10(12)13-2/h5,8-9H,3-4,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyFYAWDZAJPHUASX-DTWKUNHWSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate?
The IUPAC name of methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate (CID 101191580) is methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate.
What is the SMILES notation for methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate?
The canonical SMILES for methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate is COC(=O)C1=C[C@@H]2CC[C@H](C1)N2C.
What is the InChIKey of methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate?
The InChIKey is FYAWDZAJPHUASX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-8-3-4-9(11)6-7(5-8)10(12)13-2/h5,8-9H,3-4,6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate?
methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate is sourced from PubChem (CID 101191580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).