5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one

C13H16N4O — CID 143468717

IUPAC5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one
SMILESC=C1NC(=O)C2(Cc3cc(N)c(N)cc3C2)N1C
InChIInChI=1S/C13H16N4O/c1-7-16-12(18)13(17(7)2)5-8-3-10(14)11(15)4-9(8)6-13/h3-4H,1,5-6,14-15H2,2H3,(H,16,18)
InChIKeyLPNAHIJTQIRERB-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.22
Rot. Bonds

About 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one

5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one (PubChem CID 143468717) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one
PubChem CID143468717
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one
SMILESC=C1NC(=O)C2(Cc3cc(N)c(N)cc3C2)N1C
InChIInChI=1S/C13H16N4O/c1-7-16-12(18)13(17(7)2)5-8-3-10(14)11(15)4-9(8)6-13/h3-4H,1,5-6,14-15H2,2H3,(H,16,18)
InChIKeyLPNAHIJTQIRERB-UHFFFAOYSA-N
XLogP0.22
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one?
The IUPAC name of 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one (CID 143468717) is 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one.
What is the SMILES notation for 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one?
The canonical SMILES for 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one is C=C1NC(=O)C2(Cc3cc(N)c(N)cc3C2)N1C.
What is the InChIKey of 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one?
The InChIKey is LPNAHIJTQIRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-16-12(18)13(17(7)2)5-8-3-10(14)11(15)4-9(8)6-13/h3-4H,1,5-6,14-15H2,2H3,(H,16,18).
What are the key properties of 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one?
5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one has a molecular weight of 244.30 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1'-methyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one is sourced from PubChem (CID 143468717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).