2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

C24H20Cl2N2O5 — CID 108758656

IUPAC2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20Cl2N2O5/c1-13(28-22(31)15-4-2-3-5-16(15)23(28)32)21(30)27-8-6-24(7-9-27)12-19(29)17-10-14(25)11-18(26)20(17)33-24/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyJHJGSOMFBUWPET-UHFFFAOYSA-N
MW487.34 g/mol
LogP4.00
Rot. Bonds2

About 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 108758656) has the molecular formula C24H20Cl2N2O5 and a molecular weight of 487.34 g/mol. Its IUPAC name is 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID108758656
Molecular FormulaC24H20Cl2N2O5
Molecular Weight487.34 g/mol
Exact Mass486.07
IUPAC Name2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20Cl2N2O5/c1-13(28-22(31)15-4-2-3-5-16(15)23(28)32)21(30)27-8-6-24(7-9-27)12-19(29)17-10-14(25)11-18(26)20(17)33-24/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyJHJGSOMFBUWPET-UHFFFAOYSA-N
XLogP4.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735479
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 108758656) is 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(Cl)c1O2)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is JHJGSOMFBUWPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O5/c1-13(28-22(31)15-4-2-3-5-16(15)23(28)32)21(30)27-8-6-24(7-9-27)12-19(29)17-10-14(25)11-18(26)20(17)33-24/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 487.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108758656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).