3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid

C9H8O2 — CID 66864173

IUPAC3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid
SMILESO=C(O)CCc1ccc2cc1-2
InChIInChI=1S/C9H8O2/c10-9(11)4-3-6-1-2-7-5-8(6)7/h1-2,5H,3-4H2,(H,10,11)
InChIKeyDCPGWXMHKABNQI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid

3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid (PubChem CID 66864173) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid
PubChem CID66864173
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid
SMILESO=C(O)CCc1ccc2cc1-2
InChIInChI=1S/C9H8O2/c10-9(11)4-3-6-1-2-7-5-8(6)7/h1-2,5H,3-4H2,(H,10,11)
InChIKeyDCPGWXMHKABNQI-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid?
The IUPAC name of 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid (CID 66864173) is 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid.
What is the SMILES notation for 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid?
The canonical SMILES for 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid is O=C(O)CCc1ccc2cc1-2.
What is the InChIKey of 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid?
The InChIKey is DCPGWXMHKABNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-9(11)4-3-6-1-2-7-5-8(6)7/h1-2,5H,3-4H2,(H,10,11).
What are the key properties of 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid?
3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid has a molecular weight of 148.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid is sourced from PubChem (CID 66864173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).