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

C19H19NO3 — CID 5391089

IUPAC8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12
InChIInChI=1S/C19H19NO3/c1-13-10-18(22)23-19-15(13)8-9-17(21)16(19)12-20(2)11-14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3
InChIKeyFDYJCKROLXALAM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.44
Rot. Bonds4

About 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one

8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one (PubChem CID 5391089) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one
PubChem CID5391089
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12
InChIInChI=1S/C19H19NO3/c1-13-10-18(22)23-19-15(13)8-9-17(21)16(19)12-20(2)11-14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3
InChIKeyFDYJCKROLXALAM-UHFFFAOYSA-N
XLogP3.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one (CID 5391089) is 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12.
What is the InChIKey of 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one?
The InChIKey is FDYJCKROLXALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-10-18(22)23-19-15(13)8-9-17(21)16(19)12-20(2)11-14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one?
8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 5391089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).