6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione

C10H13NO2 — CID 19899294

IUPAC6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione
SMILESCN1C(=O)C2(CCCC23CC3)C1=O
InChIInChI=1S/C10H13NO2/c1-11-7(12)10(8(11)13)4-2-3-9(10)5-6-9/h2-6H2,1H3
InChIKeyRWWCPLNRDQKMBU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.94
Rot. Bonds

About 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione

6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione (PubChem CID 19899294) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione.

Molecular Properties

Compound Name6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione
PubChem CID19899294
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione
SMILESCN1C(=O)C2(CCCC23CC3)C1=O
InChIInChI=1S/C10H13NO2/c1-11-7(12)10(8(11)13)4-2-3-9(10)5-6-9/h2-6H2,1H3
InChIKeyRWWCPLNRDQKMBU-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione?
The IUPAC name of 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione (CID 19899294) is 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione.
What is the SMILES notation for 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione?
The canonical SMILES for 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione is CN1C(=O)C2(CCCC23CC3)C1=O.
What is the InChIKey of 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione?
The InChIKey is RWWCPLNRDQKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-7(12)10(8(11)13)4-2-3-9(10)5-6-9/h2-6H2,1H3.
What are the key properties of 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione?
6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione has a molecular weight of 179.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-azadispiro[2.0.34.33]decane-5,7-dione is sourced from PubChem (CID 19899294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).