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

C10H15NO3 — CID 59058358

IUPACmethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(O)CC2CCC1N2C
InChIInChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRZLGUUVIZWCQCU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.84
Rot. Bonds1

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

methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (PubChem CID 59058358) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
PubChem CID59058358
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(O)CC2CCC1N2C
InChIInChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRZLGUUVIZWCQCU-UHFFFAOYSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (CID 59058358) is methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is COC(=O)C1=C(O)CC2CCC1N2C.
What is the InChIKey of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The InChIKey is RZLGUUVIZWCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is sourced from PubChem (CID 59058358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).