4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

C13H15N3O — CID 79959523

IUPAC4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESCN1C(=O)N=C(N)C12CCc1ccccc1C2
InChIInChI=1S/C13H15N3O/c1-16-12(17)15-11(14)13(16)7-6-9-4-2-3-5-10(9)8-13/h2-5H,6-8H2,1H3,(H2,14,15,17)
InChIKeyUQRKWSPTSIQEOR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.34
Rot. Bonds

About 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (PubChem CID 79959523) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
PubChem CID79959523
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESCN1C(=O)N=C(N)C12CCc1ccccc1C2
InChIInChI=1S/C13H15N3O/c1-16-12(17)15-11(14)13(16)7-6-9-4-2-3-5-10(9)8-13/h2-5H,6-8H2,1H3,(H2,14,15,17)
InChIKeyUQRKWSPTSIQEOR-UHFFFAOYSA-N
XLogP1.34
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (CID 79959523) is 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is CN1C(=O)N=C(N)C12CCc1ccccc1C2.
What is the InChIKey of 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The InChIKey is UQRKWSPTSIQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(17)15-11(14)13(16)7-6-9-4-2-3-5-10(9)8-13/h2-5H,6-8H2,1H3,(H2,14,15,17).
What are the key properties of 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one has a molecular weight of 229.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 79959523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).