4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one

C7H11N3O2 — CID 79960902

IUPAC4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C7H11N3O2/c1-10-6(11)9-5(8)7(10)2-3-12-4-7/h2-4H2,1H3,(H2,8,9,11)
InChIKeyMDBQKIYPVHVVBD-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.43
Rot. Bonds

About 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79960902) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79960902
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C7H11N3O2/c1-10-6(11)9-5(8)7(10)2-3-12-4-7/h2-4H2,1H3,(H2,8,9,11)
InChIKeyMDBQKIYPVHVVBD-UHFFFAOYSA-N
XLogP-0.43
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.43
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-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79960902) is 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is CN1C(=O)N=C(N)C12CCOC2.
What is the InChIKey of 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is MDBQKIYPVHVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-6(11)9-5(8)7(10)2-3-12-4-7/h2-4H2,1H3,(H2,8,9,11).
What are the key properties of 4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.43, 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-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79960902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).