4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one

C14H17N3O3 — CID 138390077

IUPAC4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCOc1ccccc12
InChIInChI=1S/C14H17N3O3/c1-19-9-7-17-13(18)16-12(15)14(17)6-8-20-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,18)
InChIKeyCAHLEQZLGWYKIF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.31
Rot. Bonds3

About 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one

4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one (PubChem CID 138390077) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
PubChem CID138390077
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCOc1ccccc12
InChIInChI=1S/C14H17N3O3/c1-19-9-7-17-13(18)16-12(15)14(17)6-8-20-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,18)
InChIKeyCAHLEQZLGWYKIF-UHFFFAOYSA-N
XLogP1.31
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391461
4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one
CID 138391204
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
(4S)-6-fluoro-4'-imino-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
CID 173428982
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848

Frequently Asked Questions

What is the IUPAC name of 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one (CID 138390077) is 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CCOC)C12CCOc1ccccc12.
What is the InChIKey of 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one?
The InChIKey is CAHLEQZLGWYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-9-7-17-13(18)16-12(15)14(17)6-8-20-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one?
4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one has a molecular weight of 275.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138390077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).