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

C19H21NO4 — CID 174873505

IUPAC1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCN1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3.C5H9NO/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-6-4-2-3-5(6)7/h4-6H,1-3H3;2-4H2,1H3
InChIKeyHRRHLHAMALUVAF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.70
Rot. Bonds

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

1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 174873505) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID174873505
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCN1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3.C5H9NO/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-6-4-2-3-5(6)7/h4-6H,1-3H3;2-4H2,1H3
InChIKeyHRRHLHAMALUVAF-UHFFFAOYSA-N
XLogP3.70
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 174873505) is 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one is CN1CCCC1=O.Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.
What is the InChIKey of 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is HRRHLHAMALUVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C5H9NO/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;1-6-4-2-3-5(6)7/h4-6H,1-3H3;2-4H2,1H3.
What are the key properties of 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 327.38 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;2,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 174873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).