4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H21N3O — CID 114420729

IUPAC4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CCCCC2(C)C
InChIInChI=1S/C14H21N3O/c1-5-10(2)17-12(18)16-11(15)14(17)9-7-6-8-13(14,3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,18)
InChIKeyZNGGNMVBAOCHPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds1

About 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 114420729) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID114420729
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CCCCC2(C)C
InChIInChI=1S/C14H21N3O/c1-5-10(2)17-12(18)16-11(15)14(17)9-7-6-8-13(14,3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,18)
InChIKeyZNGGNMVBAOCHPM-UHFFFAOYSA-N
XLogP2.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-amino-5-but-3-yn-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 114420737
4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420644
4-amino-1-but-3-yn-2-yl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 114420955
4-amino-1-but-3-yn-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420743
4-amino-1-but-3-yn-2-yl-5-(cyclobutylmethyl)-5-methylimidazol-2-one
CID 114420647
4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one
CID 114420730
4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 114420905
4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 114420842
4'-amino-1'-but-3-yn-2-yl-3-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-2'-one
CID 114420896
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
tert-butyl 8-amino-5-but-3-yn-2-yl-6-oxo-2,5,7-triazaspiro[3.4]oct-7-ene-2-carboxylate
CID 114420631
4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960511

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 114420729) is 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is C#CC(C)N1C(=O)N=C(N)C12CCCCC2(C)C.
What is the InChIKey of 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ZNGGNMVBAOCHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-10(2)17-12(18)16-11(15)14(17)9-7-6-8-13(14,3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,18).
What are the key properties of 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 114420729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).