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

C21H21NO5 — CID 90585903

IUPAC1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc(OCC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-13-20(24)22-11-10-21(14-22)12-18(23)17-4-2-3-5-19(17)27-21/h2-9H,10-14H2,1H3
InChIKeyUGJJELLOZAKZSX-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.71
Rot. Bonds4

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

1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90585903) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90585903
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc(OCC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-13-20(24)22-11-10-21(14-22)12-18(23)17-4-2-3-5-19(17)27-21/h2-9H,10-14H2,1H3
InChIKeyUGJJELLOZAKZSX-UHFFFAOYSA-N
XLogP2.71
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 110213187
1'-[3-(2,4,6-trimethoxyphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586182
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585951
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768717
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586218
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90585903) is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc(OCC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1.
What is the InChIKey of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is UGJJELLOZAKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-13-20(24)22-11-10-21(14-22)12-18(23)17-4-2-3-5-19(17)27-21/h2-9H,10-14H2,1H3.
What are the key properties of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 367.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90585903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).