4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one

C16H21N3O2 — CID 138391204

IUPAC4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CC(C)(C)Oc1ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-9-19-14(20)18-13(17)16(19)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySDCOETPLVVYSAR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.86
Rot. Bonds2

About 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one

4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one (PubChem CID 138391204) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one
PubChem CID138391204
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CC(C)(C)Oc1ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-9-19-14(20)18-13(17)16(19)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySDCOETPLVVYSAR-UHFFFAOYSA-N
XLogP2.86
TPSA65.42 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 ≤ 52.86
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

4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
4'-imino-1'-(2-methoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2'-one
CID 138390077
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
CID 138389048
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391461
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334

Frequently Asked Questions

What is the IUPAC name of 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one (CID 138391204) is 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CCC)C12CC(C)(C)Oc1ccccc12.
What is the InChIKey of 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one?
The InChIKey is SDCOETPLVVYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-19-14(20)18-13(17)16(19)10-15(2,3)21-12-8-6-5-7-11(12)16/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one?
4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one has a molecular weight of 287.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-2,2-dimethyl-1'-propylspiro[3H-chromene-4,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).