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

C22H23NO5 — CID 108746498

IUPAC6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3cccc(C)c3)C1)O2
InChIInChI=1S/C22H23NO5/c1-15-4-3-5-17(10-15)27-13-21(25)23-9-8-22(14-23)12-19(24)18-11-16(26-2)6-7-20(18)28-22/h3-7,10-11H,8-9,12-14H2,1-2H3
InChIKeyYGMILKFCHHQQDT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.02
Rot. Bonds4

About 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108746498) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108746498
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3cccc(C)c3)C1)O2
InChIInChI=1S/C22H23NO5/c1-15-4-3-5-17(10-15)27-13-21(25)23-9-8-22(14-23)12-19(24)18-11-16(26-2)6-7-20(18)28-22/h3-7,10-11H,8-9,12-14H2,1-2H3
InChIKeyYGMILKFCHHQQDT-UHFFFAOYSA-N
XLogP3.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1'-[2-(3-methylphenoxy)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
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
1'-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768717
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746393
6-methoxy-1'-(2-methoxybenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768631
(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108746498) is 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3cccc(C)c3)C1)O2.
What is the InChIKey of 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is YGMILKFCHHQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-15-4-3-5-17(10-15)27-13-21(25)23-9-8-22(14-23)12-19(24)18-11-16(26-2)6-7-20(18)28-22/h3-7,10-11H,8-9,12-14H2,1-2H3.
What are the key properties of 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).