3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione

C12H19NO2 — CID 15548460

IUPAC3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione
SMILESCC(C)N1C(=O)C2(CCCC2=O)C1(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)13-10(15)12(11(13,3)4)7-5-6-9(12)14/h8H,5-7H2,1-4H3
InChIKeyMNMSKHXRYLLSPT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds1

About 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione

3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione (PubChem CID 15548460) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione
PubChem CID15548460
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione
SMILESCC(C)N1C(=O)C2(CCCC2=O)C1(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)13-10(15)12(11(13,3)4)7-5-6-9(12)14/h8H,5-7H2,1-4H3
InChIKeyMNMSKHXRYLLSPT-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione?
The IUPAC name of 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione (CID 15548460) is 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione?
The canonical SMILES for 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione is CC(C)N1C(=O)C2(CCCC2=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione?
The InChIKey is MNMSKHXRYLLSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)13-10(15)12(11(13,3)4)7-5-6-9(12)14/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione?
3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione has a molecular weight of 209.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione is sourced from PubChem (CID 15548460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).