2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one

C15H19N3O2 — CID 136703807

IUPAC2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
SMILESCC(C)C/N=C1\NC(=O)C2(COCc3ccccc32)N1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-16-14-17-13(19)15(18-14)9-20-8-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyVJIIKZILVYIVSY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.14
Rot. Bonds2

About 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one

2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one (PubChem CID 136703807) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
PubChem CID136703807
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
SMILESCC(C)C/N=C1\NC(=O)C2(COCc3ccccc32)N1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-16-14-17-13(19)15(18-14)9-20-8-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyVJIIKZILVYIVSY-UHFFFAOYSA-N
XLogP1.14
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2'-(2-methoxyethylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703808
2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 107150443
2-(2',5'-dioxospiro[1,3-dihydroisochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 107150042
5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one
CID 136912230
8-methoxy-2-(2-methylpropylimino)-1,3-diazaspiro[4.5]decan-4-one
CID 136951383
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
CID 107150400
2-[4-(1-aminoethyl)-1,3-dihydroisochromen-4-yl]ethanol
CID 107150396
N-benzyl-N-methyl-2-(4-methyl-1,3-dihydroisochromen-4-yl)ethanamine
CID 12706487
N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 107150183
4-[acetyl(methyl)amino]-1,3-dihydroisochromene-4-carboxylic acid
CID 107149881
CID 100922608
CID 100922608

Frequently Asked Questions

What is the IUPAC name of 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one (CID 136703807) is 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one is CC(C)C/N=C1\NC(=O)C2(COCc3ccccc32)N1.
What is the InChIKey of 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is VJIIKZILVYIVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)7-16-14-17-13(19)15(18-14)9-20-8-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 273.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 136703807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).