spiro[3.5]nonane-2,7-dione

C9H12O2 — CID 130028978

IUPACspiro[3.5]nonane-2,7-dione
SMILESO=C1CCC2(CC1)CC(=O)C2
InChIInChI=1S/C9H12O2/c10-7-1-3-9(4-2-7)5-8(11)6-9/h1-6H2
InChIKeyGLFUDGVJQZNREY-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.48
Rot. Bonds

About spiro[3.5]nonane-2,7-dione

spiro[3.5]nonane-2,7-dione (PubChem CID 130028978) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is spiro[3.5]nonane-2,7-dione.

Molecular Properties

Compound Namespiro[3.5]nonane-2,7-dione
PubChem CID130028978
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namespiro[3.5]nonane-2,7-dione
SMILESO=C1CCC2(CC1)CC(=O)C2
InChIInChI=1S/C9H12O2/c10-7-1-3-9(4-2-7)5-8(11)6-9/h1-6H2
InChIKeyGLFUDGVJQZNREY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433521
7-oxaspiro[3.5]nonan-2-one
CID 67451909
3-azaspiro[5.5]undecane-4,9-dione
CID 178016231
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one
CID 89016729
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
dispiro[3.1.36.14]decan-8-one
CID 155821290
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
spiro[4.6]undecan-10-one
CID 15638085
ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433676
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
tricyclo[3.3.2.01,5]decane-3,7-dione
CID 130831623

Frequently Asked Questions

What is the IUPAC name of spiro[3.5]nonane-2,7-dione?
The IUPAC name of spiro[3.5]nonane-2,7-dione (CID 130028978) is spiro[3.5]nonane-2,7-dione.
What is the SMILES notation for spiro[3.5]nonane-2,7-dione?
The canonical SMILES for spiro[3.5]nonane-2,7-dione is O=C1CCC2(CC1)CC(=O)C2.
What is the InChIKey of spiro[3.5]nonane-2,7-dione?
The InChIKey is GLFUDGVJQZNREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-1-3-9(4-2-7)5-8(11)6-9/h1-6H2.
What are the key properties of spiro[3.5]nonane-2,7-dione?
spiro[3.5]nonane-2,7-dione has a molecular weight of 152.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.5]nonane-2,7-dione is sourced from PubChem (CID 130028978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).