4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one

C15H19N3O — CID 79959497

IUPAC4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
SMILESCN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12
InChIInChI=1S/C15H19N3O/c1-14(2)8-9-15(11-7-5-4-6-10(11)14)12(16)17-13(19)18(15)3/h4-7H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyUTOAXGORRSSLKN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds

About 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one

4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one (PubChem CID 79959497) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
PubChem CID79959497
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
SMILESCN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12
InChIInChI=1S/C15H19N3O/c1-14(2)8-9-15(11-7-5-4-6-10(11)14)12(16)17-13(19)18(15)3/h4-7H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyUTOAXGORRSSLKN-UHFFFAOYSA-N
XLogP2.38
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one (CID 79959497) is 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one is CN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12.
What is the InChIKey of 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The InChIKey is UTOAXGORRSSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2)8-9-15(11-7-5-4-6-10(11)14)12(16)17-13(19)18(15)3/h4-7H,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one has a molecular weight of 257.34 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 79959497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).