methyl bicyclo[3.3.1]non-2-ene-2-carboxylate

C11H16O2 — CID 71364560

IUPACmethyl bicyclo[3.3.1]non-2-ene-2-carboxylate
SMILESCOC(=O)C1=CCC2CCCC1C2
InChIInChI=1S/C11H16O2/c1-13-11(12)10-6-5-8-3-2-4-9(10)7-8/h6,8-9H,2-5,7H2,1H3
InChIKeySKVXZBCHDHQGIJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

About methyl bicyclo[3.3.1]non-2-ene-2-carboxylate

methyl bicyclo[3.3.1]non-2-ene-2-carboxylate (PubChem CID 71364560) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl bicyclo[3.3.1]non-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl bicyclo[3.3.1]non-2-ene-2-carboxylate
PubChem CID71364560
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl bicyclo[3.3.1]non-2-ene-2-carboxylate
SMILESCOC(=O)C1=CCC2CCCC1C2
InChIInChI=1S/C11H16O2/c1-13-11(12)10-6-5-8-3-2-4-9(10)7-8/h6,8-9H,2-5,7H2,1H3
InChIKeySKVXZBCHDHQGIJ-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl bicyclo[3.3.1]non-2-ene-2-carboxylate?
The IUPAC name of methyl bicyclo[3.3.1]non-2-ene-2-carboxylate (CID 71364560) is methyl bicyclo[3.3.1]non-2-ene-2-carboxylate.
What is the SMILES notation for methyl bicyclo[3.3.1]non-2-ene-2-carboxylate?
The canonical SMILES for methyl bicyclo[3.3.1]non-2-ene-2-carboxylate is COC(=O)C1=CCC2CCCC1C2.
What is the InChIKey of methyl bicyclo[3.3.1]non-2-ene-2-carboxylate?
The InChIKey is SKVXZBCHDHQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-11(12)10-6-5-8-3-2-4-9(10)7-8/h6,8-9H,2-5,7H2,1H3.
What are the key properties of methyl bicyclo[3.3.1]non-2-ene-2-carboxylate?
methyl bicyclo[3.3.1]non-2-ene-2-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bicyclo[3.3.1]non-2-ene-2-carboxylate is sourced from PubChem (CID 71364560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).