4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one

C8H13N3O — CID 55250806

IUPAC4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C8H13N3O/c1-11-7(12)10-6(9)8(11)4-2-3-5-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyICUJQVFLGDTSPC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.72
Rot. Bonds

About 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 55250806) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID55250806
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C8H13N3O/c1-11-7(12)10-6(9)8(11)4-2-3-5-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyICUJQVFLGDTSPC-UHFFFAOYSA-N
XLogP0.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 55250806) is 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one is CN1C(=O)N=C(N)C12CCCC2.
What is the InChIKey of 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is ICUJQVFLGDTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7(12)10-6(9)8(11)4-2-3-5-8/h2-5H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 55250806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).