(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione

C12H17NO2 — CID 15317459

IUPAC(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=C1CN(C)C(=O)[C@]12CC(C)(C)CC2=O
InChIInChI=1S/C12H17NO2/c1-8-6-13(4)10(15)12(8)7-11(2,3)5-9(12)14/h1,5-7H2,2-4H3/t12-/m1/s1
InChIKeyOQPVBYDYOJXHPF-GFCCVEGCSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds

About (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione

(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 15317459) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID15317459
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=C1CN(C)C(=O)[C@]12CC(C)(C)CC2=O
InChIInChI=1S/C12H17NO2/c1-8-6-13(4)10(15)12(8)7-11(2,3)5-9(12)14/h1,5-7H2,2-4H3/t12-/m1/s1
InChIKeyOQPVBYDYOJXHPF-GFCCVEGCSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
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)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione (CID 15317459) is (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione is C=C1CN(C)C(=O)[C@]12CC(C)(C)CC2=O.
What is the InChIKey of (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is OQPVBYDYOJXHPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-13(4)10(15)12(8)7-11(2,3)5-9(12)14/h1,5-7H2,2-4H3/t12-/m1/s1.
What are the key properties of (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione?
(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 207.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 15317459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).