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

C9H15N3O — CID 79961087

IUPAC4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C9H15N3O/c1-2-12-8(13)11-7(10)9(12)5-3-4-6-9/h2-6H2,1H3,(H2,10,11,13)
InChIKeyPQRZNLHZYOHVAJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.11
Rot. Bonds1

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

4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79961087) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79961087
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C9H15N3O/c1-2-12-8(13)11-7(10)9(12)5-3-4-6-9/h2-6H2,1H3,(H2,10,11,13)
InChIKeyPQRZNLHZYOHVAJ-UHFFFAOYSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79961087) is 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one is CCN1C(=O)N=C(N)C12CCCC2.
What is the InChIKey of 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is PQRZNLHZYOHVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-8(13)11-7(10)9(12)5-3-4-6-9/h2-6H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).