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

C10H11NO3 — CID 139312600

IUPAC7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC2(C=CC1=O)CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-8-6-10(4-2-7(8)12)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyRBTAYPBYOLORPJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.30
Rot. Bonds1

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

7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 139312600) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID139312600
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC2(C=CC1=O)CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-8-6-10(4-2-7(8)12)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyRBTAYPBYOLORPJ-UHFFFAOYSA-N
XLogP0.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 139312600) is 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC2(C=CC1=O)CCC(=O)N2.
What is the InChIKey of 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is RBTAYPBYOLORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-8-6-10(4-2-7(8)12)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13).
What are the key properties of 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 193.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 139312600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).