4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one

C14H16N2O3 — CID 137317036

IUPAC4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one
SMILESCCC/N=C1\NC(=O)OC12CCOc1ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-8-15-12-14(19-13(17)16-12)7-9-18-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyXWLLLPNUYPPGFI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds2

About 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one

4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one (PubChem CID 137317036) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one
PubChem CID137317036
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one
SMILESCCC/N=C1\NC(=O)OC12CCOc1ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-8-15-12-14(19-13(17)16-12)7-9-18-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,16,17)
InChIKeyXWLLLPNUYPPGFI-UHFFFAOYSA-N
XLogP2.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
6'-chlorospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
CID 13014150
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 106734060
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
4-butyl-4-phenyl-2,3-dihydrochromene
CID 5169021
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
4,4-diiodo-2,3-dihydrochromene
CID 138563808
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 62354992
4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283

Frequently Asked Questions

What is the IUPAC name of 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one (CID 137317036) is 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one is CCC/N=C1\NC(=O)OC12CCOc1ccccc12.
What is the InChIKey of 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one?
The InChIKey is XWLLLPNUYPPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-8-15-12-14(19-13(17)16-12)7-9-18-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,16,17).
What are the key properties of 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one?
4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyliminospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 137317036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).