3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

C8H12N2O — CID 45088328

IUPAC3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCN1C=NC2(CCCC2)C1=O
InChIInChI=1S/C8H12N2O/c1-10-6-9-8(7(10)11)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyBIPFBENQTUPEJP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.80
Rot. Bonds

About 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 45088328) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID45088328
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCN1C=NC2(CCCC2)C1=O
InChIInChI=1S/C8H12N2O/c1-10-6-9-8(7(10)11)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyBIPFBENQTUPEJP-UHFFFAOYSA-N
XLogP0.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 45088328) is 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is CN1C=NC2(CCCC2)C1=O.
What is the InChIKey of 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is BIPFBENQTUPEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-6-9-8(7(10)11)4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 45088328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).