1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one

C20H23NO5 — CID 174900682

IUPAC1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCCON1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3.C6H11NO2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-2-9-7-5-3-4-6(7)8/h4-6H,1-3H3;2-5H2,1H3
InChIKeyPDVMLQYOEZQUJI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.02
Rot. Bonds2

About 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one

1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 174900682) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID174900682
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCCON1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3.C6H11NO2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-2-9-7-5-3-4-6(7)8/h4-6H,1-3H3;2-5H2,1H3
InChIKeyPDVMLQYOEZQUJI-UHFFFAOYSA-N
XLogP4.02
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 174900682) is 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one is CCON1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.
What is the InChIKey of 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is PDVMLQYOEZQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C6H11NO2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-2-9-7-5-3-4-6(7)8/h4-6H,1-3H3;2-5H2,1H3.
What are the key properties of 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 357.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 174900682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).