7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C11H13NO2 — CID 139312089

IUPAC7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCC1=CC2(C=C(C)C1=O)CCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-7-5-11(4-3-9(13)12-11)6-8(2)10(7)14/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyNZUVCHGZMDUVEN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.11
Rot. Bonds

About 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 139312089) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID139312089
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCC1=CC2(C=C(C)C1=O)CCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-7-5-11(4-3-9(13)12-11)6-8(2)10(7)14/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyNZUVCHGZMDUVEN-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 139312089) is 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CC1=CC2(C=C(C)C1=O)CCC(=O)N2.
What is the InChIKey of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is NZUVCHGZMDUVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-11(4-3-9(13)12-11)6-8(2)10(7)14/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 191.23 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 139312089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).