methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate

C10H14O2 — CID 19880499

IUPACmethyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate
SMILESCOC(=O)C1=CC2CC1CC2C
InChIInChI=1S/C10H14O2/c1-6-3-8-4-7(6)5-9(8)10(11)12-2/h5-8H,3-4H2,1-2H3
InChIKeyRXFQFGLXZDXEFA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.76
Rot. Bonds1

About methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate

methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate (PubChem CID 19880499) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate
PubChem CID19880499
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate
SMILESCOC(=O)C1=CC2CC1CC2C
InChIInChI=1S/C10H14O2/c1-6-3-8-4-7(6)5-9(8)10(11)12-2/h5-8H,3-4H2,1-2H3
InChIKeyRXFQFGLXZDXEFA-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate?
The IUPAC name of methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate (CID 19880499) is methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate.
What is the SMILES notation for methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate?
The canonical SMILES for methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate is COC(=O)C1=CC2CC1CC2C.
What is the InChIKey of methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate?
The InChIKey is RXFQFGLXZDXEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-3-8-4-7(6)5-9(8)10(11)12-2/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate?
methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylbicyclo[2.2.1]hept-2-ene-2-carboxylate is sourced from PubChem (CID 19880499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).