1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H17Cl2NO4 — CID 90585951

IUPAC1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)Oc2ccccc21
InChIInChI=1S/C20H17Cl2NO4/c21-13-5-6-18(15(22)9-13)26-11-19(25)23-8-7-20(12-23)10-16(24)14-3-1-2-4-17(14)27-20/h1-6,9H,7-8,10-12H2
InChIKeyQOANBHGXECGMRZ-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.01
Rot. Bonds3

About 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90585951) has the molecular formula C20H17Cl2NO4 and a molecular weight of 406.27 g/mol. Its IUPAC name is 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90585951
Molecular FormulaC20H17Cl2NO4
Molecular Weight406.27 g/mol
Exact Mass405.05
IUPAC Name1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)Oc2ccccc21
InChIInChI=1S/C20H17Cl2NO4/c21-13-5-6-18(15(22)9-13)26-11-19(25)23-8-7-20(12-23)10-16(24)14-3-1-2-4-17(14)27-20/h1-6,9H,7-8,10-12H2
InChIKeyQOANBHGXECGMRZ-UHFFFAOYSA-N
XLogP4.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735131
6-chloro-1'-[4-(2,4-dichlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735075
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586133
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
1'-[4-(4-chlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757646
1'-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768717

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90585951) is 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)Oc2ccccc21.
What is the InChIKey of 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is QOANBHGXECGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4/c21-13-5-6-18(15(22)9-13)26-11-19(25)23-8-7-20(12-23)10-16(24)14-3-1-2-4-17(14)27-20/h1-6,9H,7-8,10-12H2.
What are the key properties of 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 406.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90585951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).