4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one

C12H13N3O — CID 138388524

IUPAC4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCc1ccccc12
InChIInChI=1S/C12H13N3O/c1-15-11(16)14-10(13)12(15)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyQUAHBTLWLGLJRV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds

About 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one

4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (PubChem CID 138388524) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
PubChem CID138388524
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCc1ccccc12
InChIInChI=1S/C12H13N3O/c1-15-11(16)14-10(13)12(15)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyQUAHBTLWLGLJRV-UHFFFAOYSA-N
XLogP1.46
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389883
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
6-bromo-4'-imino-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391308
1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 175506562
7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391461
(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one
CID 164631160
4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
CID 138390077
7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391458
2'-iminospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-4'-one
CID 140764521

Frequently Asked Questions

What is the IUPAC name of 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (CID 138388524) is 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(C)C12CCc1ccccc12.
What is the InChIKey of 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The InChIKey is QUAHBTLWLGLJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-11(16)14-10(13)12(15)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H2,13,14,16).
What are the key properties of 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one has a molecular weight of 215.26 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138388524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).