2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one

C16H21N3O2 — CID 135412772

IUPAC2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccccc32)N1
InChIInChI=1S/C16H21N3O2/c1-4-9-17-14-18-13(20)16(19-14)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyGPCSJMDEERSIDX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds2

About 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one

2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135412772) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
PubChem CID135412772
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
SMILESCCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccccc32)N1
InChIInChI=1S/C16H21N3O2/c1-4-9-17-14-18-13(20)16(19-14)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyGPCSJMDEERSIDX-UHFFFAOYSA-N
XLogP1.93
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135412772) is 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is CCC/N=C1\NC(=O)C2(CC(C)(C)Oc3ccccc32)N1.
What is the InChIKey of 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
The InChIKey is GPCSJMDEERSIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-17-14-18-13(20)16(19-14)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?
2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 287.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135412772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).