3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid

C10H12O4 — CID 13265889

IUPAC3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)C2CCC1C2
InChIInChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyKONDLVQKCUJIEN-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.97
Rot. Bonds2

About 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid

3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid (PubChem CID 13265889) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid
PubChem CID13265889
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)C2CCC1C2
InChIInChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyKONDLVQKCUJIEN-UHFFFAOYSA-N
XLogP0.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The IUPAC name of 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid (CID 13265889) is 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid is COC(=O)C1=C(C(=O)O)C2CCC1C2.
What is the InChIKey of 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The InChIKey is KONDLVQKCUJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 13265889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).