4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one

C15H15N3O — CID 114420730

IUPAC4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one
SMILESC#CC(C)N1C(=O)N=C(N)C12Cc1ccccc1C2
InChIInChI=1S/C15H15N3O/c1-3-10(2)18-14(19)17-13(16)15(18)8-11-6-4-5-7-12(11)9-15/h1,4-7,10H,8-9H2,2H3,(H2,16,17,19)
InChIKeyRSCQZXUEWAPJTK-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.34
Rot. Bonds1

About 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one

4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one (PubChem CID 114420730) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one
PubChem CID114420730
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one
SMILESC#CC(C)N1C(=O)N=C(N)C12Cc1ccccc1C2
InChIInChI=1S/C15H15N3O/c1-3-10(2)18-14(19)17-13(16)15(18)8-11-6-4-5-7-12(11)9-15/h1,4-7,10H,8-9H2,2H3,(H2,16,17,19)
InChIKeyRSCQZXUEWAPJTK-UHFFFAOYSA-N
XLogP1.34
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.34
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-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-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-7-cyclopropyl-8-methyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 114420789
4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 114420905
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-1'-but-3-yn-2-yl-3-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-2'-one
CID 114420896
4-amino-1-but-3-yn-2-yl-5-(cyclobutylmethyl)-5-methylimidazol-2-one
CID 114420647
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
CID 79968138

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one (CID 114420730) is 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one is C#CC(C)N1C(=O)N=C(N)C12Cc1ccccc1C2.
What is the InChIKey of 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one?
The InChIKey is RSCQZXUEWAPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-10(2)18-14(19)17-13(16)15(18)8-11-6-4-5-7-12(11)9-15/h1,4-7,10H,8-9H2,2H3,(H2,16,17,19).
What are the key properties of 4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one?
4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one has a molecular weight of 253.31 g/mol, XLogP of 1.34, 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-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one is sourced from PubChem (CID 114420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).