methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate

C20H23NO6 — CID 1306325

IUPACmethyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate
SMILESCOC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCCC3)c(C)c2oc1=O
InChIInChI=1S/C20H23NO6/c1-12-14-6-7-16(26-11-17(22)21-8-4-5-9-21)13(2)19(14)27-20(24)15(12)10-18(23)25-3/h6-7H,4-5,8-11H2,1-3H3
InChIKeyJYVFZOBEAYYQOI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate

methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate (PubChem CID 1306325) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate
PubChem CID1306325
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate
SMILESCOC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCCC3)c(C)c2oc1=O
InChIInChI=1S/C20H23NO6/c1-12-14-6-7-16(26-11-17(22)21-8-4-5-9-21)13(2)19(14)27-20(24)15(12)10-18(23)25-3/h6-7H,4-5,8-11H2,1-3H3
InChIKeyJYVFZOBEAYYQOI-UHFFFAOYSA-N
XLogP2.13
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate?
The IUPAC name of methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate (CID 1306325) is methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate.
What is the SMILES notation for methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate?
The canonical SMILES for methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate is COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCCC3)c(C)c2oc1=O.
What is the InChIKey of methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate?
The InChIKey is JYVFZOBEAYYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-12-14-6-7-16(26-11-17(22)21-8-4-5-9-21)13(2)19(14)27-20(24)15(12)10-18(23)25-3/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate?
methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate has a molecular weight of 373.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4,8-dimethyl-2-oxo-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-3-yl]acetate is sourced from PubChem (CID 1306325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).