(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid

C10H14O2 — CID 89147518

IUPAC(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
SMILESO=C(O)C1C2CC/C=C\CCC21
InChIInChI=1S/C10H14O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h1-2,7-9H,3-6H2,(H,11,12)/b2-1-
InChIKeyHRUBEXUFSPQWHW-UPHRSURJSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds1

About (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid

(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid (PubChem CID 89147518) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid.

Molecular Properties

Compound Name(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
PubChem CID89147518
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
SMILESO=C(O)C1C2CC/C=C\CCC21
InChIInChI=1S/C10H14O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h1-2,7-9H,3-6H2,(H,11,12)/b2-1-
InChIKeyHRUBEXUFSPQWHW-UPHRSURJSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid?
The IUPAC name of (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid (CID 89147518) is (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid.
What is the SMILES notation for (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid?
The canonical SMILES for (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid is O=C(O)C1C2CC/C=C\CCC21.
What is the InChIKey of (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid?
The InChIKey is HRUBEXUFSPQWHW-UPHRSURJSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h1-2,7-9H,3-6H2,(H,11,12)/b2-1-.
What are the key properties of (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid?
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid is sourced from PubChem (CID 89147518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).