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

C9H15N3O — CID 55250775

IUPAC4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCCCC2
InChIInChI=1S/C9H15N3O/c10-7-9(12-8(13)11-7)5-3-1-2-4-6-9/h1-6H2,(H3,10,11,12,13)
InChIKeyJSQREYCKKMFFKL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.16
Rot. Bonds

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

4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 55250775) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID55250775
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCCCC2
InChIInChI=1S/C9H15N3O/c10-7-9(12-8(13)11-7)5-3-1-2-4-6-9/h1-6H2,(H3,10,11,12,13)
InChIKeyJSQREYCKKMFFKL-UHFFFAOYSA-N
XLogP1.16
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 55250775) is 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one is NC1=NC(=O)NC12CCCCCC2.
What is the InChIKey of 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is JSQREYCKKMFFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-7-9(12-8(13)11-7)5-3-1-2-4-6-9/h1-6H2,(H3,10,11,12,13).
What are the key properties of 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 55250775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).