1-azaspiro[4.5]dec-3-ene-2,8-dione

C9H11NO2 — CID 59541097

IUPAC1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESO=C1CCC2(C=CC(=O)N2)CC1
InChIInChI=1S/C9H11NO2/c11-7-1-4-9(5-2-7)6-3-8(12)10-9/h3,6H,1-2,4-5H2,(H,10,12)
InChIKeySMEQORUSBLOKHX-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.55
Rot. Bonds

About 1-azaspiro[4.5]dec-3-ene-2,8-dione

1-azaspiro[4.5]dec-3-ene-2,8-dione (PubChem CID 59541097) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-azaspiro[4.5]dec-3-ene-2,8-dione.

Molecular Properties

Compound Name1-azaspiro[4.5]dec-3-ene-2,8-dione
PubChem CID59541097
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-azaspiro[4.5]dec-3-ene-2,8-dione
SMILESO=C1CCC2(C=CC(=O)N2)CC1
InChIInChI=1S/C9H11NO2/c11-7-1-4-9(5-2-7)6-3-8(12)10-9/h3,6H,1-2,4-5H2,(H,10,12)
InChIKeySMEQORUSBLOKHX-UHFFFAOYSA-N
XLogP0.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.5]dec-3-ene-2,8-dione?
The IUPAC name of 1-azaspiro[4.5]dec-3-ene-2,8-dione (CID 59541097) is 1-azaspiro[4.5]dec-3-ene-2,8-dione.
What is the SMILES notation for 1-azaspiro[4.5]dec-3-ene-2,8-dione?
The canonical SMILES for 1-azaspiro[4.5]dec-3-ene-2,8-dione is O=C1CCC2(C=CC(=O)N2)CC1.
What is the InChIKey of 1-azaspiro[4.5]dec-3-ene-2,8-dione?
The InChIKey is SMEQORUSBLOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-1-4-9(5-2-7)6-3-8(12)10-9/h3,6H,1-2,4-5H2,(H,10,12).
What are the key properties of 1-azaspiro[4.5]dec-3-ene-2,8-dione?
1-azaspiro[4.5]dec-3-ene-2,8-dione has a molecular weight of 165.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]dec-3-ene-2,8-dione is sourced from PubChem (CID 59541097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).