4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H21N3O — CID 79961162

IUPAC4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-4-6-12(7-5-8)9(13)14-10(16)15-12/h8H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyZRXZXLPAHGTZPB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds

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

4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79961162) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79961162
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-4-6-12(7-5-8)9(13)14-10(16)15-12/h8H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyZRXZXLPAHGTZPB-UHFFFAOYSA-N
XLogP2.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79961162) is 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)(C)C1CCC2(CC1)NC(=O)N=C2N.
What is the InChIKey of 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ZRXZXLPAHGTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)8-4-6-12(7-5-8)9(13)14-10(16)15-12/h8H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79961162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).