7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

C11H14O2 — CID 72755617

IUPAC7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CCCC2(O)C3C=CC(C3)C12
InChIInChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2
InChIKeyQSGZMCGKKHBCLU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.29
Rot. Bonds

About 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one

7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 72755617) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID72755617
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESO=C1CCCC2(O)C3C=CC(C3)C12
InChIInChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2
InChIKeyQSGZMCGKKHBCLU-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one (CID 72755617) is 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is O=C1CCCC2(O)C3C=CC(C3)C12.
What is the InChIKey of 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is QSGZMCGKKHBCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-9-2-1-5-11(13)8-4-3-7(6-8)10(9)11/h3-4,7-8,10,13H,1-2,5-6H2.
What are the key properties of 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one?
7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 72755617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).