(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione

C10H13NO2 — CID 15317460

IUPAC(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=C1CN(C)C(=O)[C@]12CCCC2=O
InChIInChI=1S/C10H13NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h1,3-6H2,2H3/t10-/m1/s1
InChIKeyBYVHHYLORRXQNJ-SNVBAGLBSA-N
MW179.22 g/mol
LogP0.75
Rot. Bonds

About (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione

(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 15317460) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID15317460
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=C1CN(C)C(=O)[C@]12CCCC2=O
InChIInChI=1S/C10H13NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h1,3-6H2,2H3/t10-/m1/s1
InChIKeyBYVHHYLORRXQNJ-SNVBAGLBSA-N
XLogP0.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione (CID 15317460) is (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione is C=C1CN(C)C(=O)[C@]12CCCC2=O.
What is the InChIKey of (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is BYVHHYLORRXQNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h1,3-6H2,2H3/t10-/m1/s1.
What are the key properties of (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 179.22 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 15317460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).