(5R)-9-methylidenespiro[4.4]nonan-4-one

C10H14O — CID 101143196

IUPAC(5R)-9-methylidenespiro[4.4]nonan-4-one
SMILESC=C1CCC[C@@]12CCCC2=O
InChIInChI=1S/C10H14O/c1-8-4-2-6-10(8)7-3-5-9(10)11/h1-7H2/t10-/m1/s1
InChIKeyIQDCAPHUVUYIFE-SNVBAGLBSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds

About (5R)-9-methylidenespiro[4.4]nonan-4-one

(5R)-9-methylidenespiro[4.4]nonan-4-one (PubChem CID 101143196) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (5R)-9-methylidenespiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(5R)-9-methylidenespiro[4.4]nonan-4-one
PubChem CID101143196
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(5R)-9-methylidenespiro[4.4]nonan-4-one
SMILESC=C1CCC[C@@]12CCCC2=O
InChIInChI=1S/C10H14O/c1-8-4-2-6-10(8)7-3-5-9(10)11/h1-7H2/t10-/m1/s1
InChIKeyIQDCAPHUVUYIFE-SNVBAGLBSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[5.6]dodecane-5,12-dione
CID 534624
(9Z)-9-ethylidenespiro[4.4]nonan-4-one
CID 131431997
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
CID 10998243
4-methylidenespiro[4.4]nonane
CID 565056
(5R,7R)-4,10-dimethylidene-7-propan-2-ylspiro[4.5]decane
CID 11138213
1,1-difluoro-2-methylidenecyclopentane
CID 141354520
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
2-methyl-2-azaspiro[4.5]decane-1,6-dione
CID 121207625
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062
5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
CID 166172267
4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one
CID 175807409

Frequently Asked Questions

What is the IUPAC name of (5R)-9-methylidenespiro[4.4]nonan-4-one?
The IUPAC name of (5R)-9-methylidenespiro[4.4]nonan-4-one (CID 101143196) is (5R)-9-methylidenespiro[4.4]nonan-4-one.
What is the SMILES notation for (5R)-9-methylidenespiro[4.4]nonan-4-one?
The canonical SMILES for (5R)-9-methylidenespiro[4.4]nonan-4-one is C=C1CCC[C@@]12CCCC2=O.
What is the InChIKey of (5R)-9-methylidenespiro[4.4]nonan-4-one?
The InChIKey is IQDCAPHUVUYIFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O/c1-8-4-2-6-10(8)7-3-5-9(10)11/h1-7H2/t10-/m1/s1.
What are the key properties of (5R)-9-methylidenespiro[4.4]nonan-4-one?
(5R)-9-methylidenespiro[4.4]nonan-4-one has a molecular weight of 150.22 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-methylidenespiro[4.4]nonan-4-one is sourced from PubChem (CID 101143196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).