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

C14H17N3O — CID 79960437

IUPAC4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one
SMILESCC1(C)CCC2(NC(=O)N=C2N)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-13(2)7-8-14(11(15)16-12(18)17-14)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyBITLSFOSBVFEKO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds

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

4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one (PubChem CID 79960437) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one.

Molecular Properties

Compound Name4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one
PubChem CID79960437
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one
SMILESCC1(C)CCC2(NC(=O)N=C2N)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-13(2)7-8-14(11(15)16-12(18)17-14)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyBITLSFOSBVFEKO-UHFFFAOYSA-N
XLogP2.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
4-amino-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 103961652
4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine
CID 61151515
5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
CID 66107860
5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
CID 134969399
8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one
CID 79961367
4-amino-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960233
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
CID 153378822
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)imidazolidine-2,4-dione
CID 70273505
1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986

Frequently Asked Questions

What is the IUPAC name of 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one?
The IUPAC name of 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one (CID 79960437) is 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one.
What is the SMILES notation for 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one?
The canonical SMILES for 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one is CC1(C)CCC2(NC(=O)N=C2N)c2ccccc21.
What is the InChIKey of 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one?
The InChIKey is BITLSFOSBVFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-13(2)7-8-14(11(15)16-12(18)17-14)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one?
4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1',1'-dimethylspiro[1H-imidazole-5,4'-2,3-dihydronaphthalene]-2-one is sourced from PubChem (CID 79960437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).