4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one

C9H15N3O2 — CID 79960517

IUPAC4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCOCC2
InChIInChI=1S/C9H15N3O2/c1-12-8(13)11-7(10)9(12)3-2-5-14-6-4-9/h2-6H2,1H3,(H2,10,11,13)
InChIKeyAEIADAZMFKJQDP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.35
Rot. Bonds

About 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79960517) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79960517
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCOCC2
InChIInChI=1S/C9H15N3O2/c1-12-8(13)11-7(10)9(12)3-2-5-14-6-4-9/h2-6H2,1H3,(H2,10,11,13)
InChIKeyAEIADAZMFKJQDP-UHFFFAOYSA-N
XLogP0.35
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.35
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-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79960517) is 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one is CN1C(=O)N=C(N)C12CCCOCC2.
What is the InChIKey of 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is AEIADAZMFKJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-8(13)11-7(10)9(12)3-2-5-14-6-4-9/h2-6H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.35, 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-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79960517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).