bicyclo[4.2.1]nonane-3,9-dione

C9H12O2 — CID 100914259

IUPACbicyclo[4.2.1]nonane-3,9-dione
SMILESO=C1CCC2CCC(C1)C2=O
InChIInChI=1S/C9H12O2/c10-8-4-3-6-1-2-7(5-8)9(6)11/h6-7H,1-5H2
InChIKeyGEZZKBREQUBPAA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds

About bicyclo[4.2.1]nonane-3,9-dione

bicyclo[4.2.1]nonane-3,9-dione (PubChem CID 100914259) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is bicyclo[4.2.1]nonane-3,9-dione.

Molecular Properties

Compound Namebicyclo[4.2.1]nonane-3,9-dione
PubChem CID100914259
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namebicyclo[4.2.1]nonane-3,9-dione
SMILESO=C1CCC2CCC(C1)C2=O
InChIInChI=1S/C9H12O2/c10-8-4-3-6-1-2-7(5-8)9(6)11/h6-7H,1-5H2
InChIKeyGEZZKBREQUBPAA-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
CID 100914264
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
3-(2,4,5-trimethylphenyl)cyclopentan-1-one
CID 64989713
(3R)-3-pyridin-2-ylcyclopentan-1-one
CID 39235685
3-(furan-3-yl)cyclopentan-1-one
CID 64522121
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
(3S)-3-trimethylsilylcyclopentan-1-one
CID 14001619
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 5260406
CID 59102215
CID 59102215
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.1]nonane-3,9-dione?
The IUPAC name of bicyclo[4.2.1]nonane-3,9-dione (CID 100914259) is bicyclo[4.2.1]nonane-3,9-dione.
What is the SMILES notation for bicyclo[4.2.1]nonane-3,9-dione?
The canonical SMILES for bicyclo[4.2.1]nonane-3,9-dione is O=C1CCC2CCC(C1)C2=O.
What is the InChIKey of bicyclo[4.2.1]nonane-3,9-dione?
The InChIKey is GEZZKBREQUBPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-4-3-6-1-2-7(5-8)9(6)11/h6-7H,1-5H2.
What are the key properties of bicyclo[4.2.1]nonane-3,9-dione?
bicyclo[4.2.1]nonane-3,9-dione has a molecular weight of 152.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.1]nonane-3,9-dione is sourced from PubChem (CID 100914259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).