2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

C11H16O2 — CID 54310927

IUPAC2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1(C)CC2CCC1C2
InChIInChI=1S/C11H16O2/c1-7(10(12)13)11(2)6-8-3-4-9(11)5-8/h8-9H,1,3-6H2,2H3,(H,12,13)
InChIKeySKUYLSAOUKHJCN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (PubChem CID 54310927) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
PubChem CID54310927
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1(C)CC2CCC1C2
InChIInChI=1S/C11H16O2/c1-7(10(12)13)11(2)6-8-3-4-9(11)5-8/h8-9H,1,3-6H2,2H3,(H,12,13)
InChIKeySKUYLSAOUKHJCN-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The IUPAC name of 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (CID 54310927) is 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is C=C(C(=O)O)C1(C)CC2CCC1C2.
What is the InChIKey of 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The InChIKey is SKUYLSAOUKHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(10(12)13)11(2)6-8-3-4-9(11)5-8/h8-9H,1,3-6H2,2H3,(H,12,13).
What are the key properties of 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid has a molecular weight of 180.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is sourced from PubChem (CID 54310927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).