4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C8H13N3O2 — CID 79960524

IUPAC4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCOCC2
InChIInChI=1S/C8H13N3O2/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyJSERWSAMQLFKPG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.04
Rot. Bonds

About 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960524) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960524
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCOCC2
InChIInChI=1S/C8H13N3O2/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyJSERWSAMQLFKPG-UHFFFAOYSA-N
XLogP-0.04
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960524) is 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CN1C(=O)N=C(N)C12CCOCC2.
What is the InChIKey of 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is JSERWSAMQLFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).