2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one

C11H11N3O — CID 10856526

IUPAC2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one
SMILESNC1=NC2(Cc3ccccc3C2)C(=O)N1
InChIInChI=1S/C11H11N3O/c12-10-13-9(15)11(14-10)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H3,12,13,14,15)
InChIKeyNEDXLKRYLOIJFU-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.03
Rot. Bonds

About 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one

2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one (PubChem CID 10856526) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one.

Molecular Properties

Compound Name2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one
PubChem CID10856526
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one
SMILESNC1=NC2(Cc3ccccc3C2)C(=O)N1
InChIInChI=1S/C11H11N3O/c12-10-13-9(15)11(14-10)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H3,12,13,14,15)
InChIKeyNEDXLKRYLOIJFU-UHFFFAOYSA-N
XLogP-0.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one?
The IUPAC name of 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one (CID 10856526) is 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one.
What is the SMILES notation for 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one?
The canonical SMILES for 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one is NC1=NC2(Cc3ccccc3C2)C(=O)N1.
What is the InChIKey of 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one?
The InChIKey is NEDXLKRYLOIJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-13-9(15)11(14-10)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H3,12,13,14,15).
What are the key properties of 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one?
2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one has a molecular weight of 201.23 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one is sourced from PubChem (CID 10856526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).