4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C11H19N3O — CID 79967912

IUPAC4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCC(C)CC2
InChIInChI=1S/C11H19N3O/c1-3-14-10(15)13-9(12)11(14)6-4-8(2)5-7-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyJONTYOHMSRAJFF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds1

About 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967912) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79967912
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCC(C)CC2
InChIInChI=1S/C11H19N3O/c1-3-14-10(15)13-9(12)11(14)6-4-8(2)5-7-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyJONTYOHMSRAJFF-UHFFFAOYSA-N
XLogP1.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
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-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79967912) is 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is CCN1C(=O)N=C(N)C12CCC(C)CC2.
What is the InChIKey of 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is JONTYOHMSRAJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-10(15)13-9(12)11(14)6-4-8(2)5-7-11/h8H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.75, 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-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).