propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate

C11H16O2 — CID 174918623

IUPACpropan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate
SMILESCC(C)OC(=O)C1=C2CCC(C2)C1
InChIInChI=1S/C11H16O2/c1-7(2)13-11(12)10-6-8-3-4-9(10)5-8/h7-8H,3-6H2,1-2H3
InChIKeyFFQWMJLCSQRIEO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds2

About propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate

propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate (PubChem CID 174918623) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate
PubChem CID174918623
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namepropan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate
SMILESCC(C)OC(=O)C1=C2CCC(C2)C1
InChIInChI=1S/C11H16O2/c1-7(2)13-11(12)10-6-8-3-4-9(10)5-8/h7-8H,3-6H2,1-2H3
InChIKeyFFQWMJLCSQRIEO-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate?
The IUPAC name of propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate (CID 174918623) is propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate.
What is the SMILES notation for propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate?
The canonical SMILES for propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate is CC(C)OC(=O)C1=C2CCC(C2)C1.
What is the InChIKey of propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate?
The InChIKey is FFQWMJLCSQRIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)13-11(12)10-6-8-3-4-9(10)5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate?
propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl bicyclo[2.2.1]hept-1-ene-2-carboxylate is sourced from PubChem (CID 174918623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).