4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one

C19H19NO2 — CID 2465980

IUPAC4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H19NO2/c1-14-8-9-17-16(11-19(21)22-18(17)10-14)13-20(2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyLIGMMUNUVGGDQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.73
Rot. Bonds4

About 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one

4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one (PubChem CID 2465980) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one
PubChem CID2465980
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H19NO2/c1-14-8-9-17-16(11-19(21)22-18(17)10-14)13-20(2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyLIGMMUNUVGGDQE-UHFFFAOYSA-N
XLogP3.73
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one (CID 2465980) is 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one is Cc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one?
The InChIKey is LIGMMUNUVGGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-8-9-17-16(11-19(21)22-18(17)10-14)13-20(2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one?
4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]-7-methylchromen-2-one is sourced from PubChem (CID 2465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).