7-methoxy-4-(methylaminomethyl)chromen-2-one

C12H13NO3 — CID 8931837

IUPAC7-methoxy-4-(methylaminomethyl)chromen-2-one
SMILESCNCc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3
InChIKeyGWMGUFTYUOYYQV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.52
Rot. Bonds3

About 7-methoxy-4-(methylaminomethyl)chromen-2-one

7-methoxy-4-(methylaminomethyl)chromen-2-one (PubChem CID 8931837) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-methoxy-4-(methylaminomethyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-(methylaminomethyl)chromen-2-one
PubChem CID8931837
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-methoxy-4-(methylaminomethyl)chromen-2-one
SMILESCNCc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3
InChIKeyGWMGUFTYUOYYQV-UHFFFAOYSA-N
XLogP1.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 7-methoxy-4-(methylaminomethyl)chromen-2-one?
The IUPAC name of 7-methoxy-4-(methylaminomethyl)chromen-2-one (CID 8931837) is 7-methoxy-4-(methylaminomethyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-4-(methylaminomethyl)chromen-2-one?
The canonical SMILES for 7-methoxy-4-(methylaminomethyl)chromen-2-one is CNCc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of 7-methoxy-4-(methylaminomethyl)chromen-2-one?
The InChIKey is GWMGUFTYUOYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3.
What are the key properties of 7-methoxy-4-(methylaminomethyl)chromen-2-one?
7-methoxy-4-(methylaminomethyl)chromen-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(methylaminomethyl)chromen-2-one is sourced from PubChem (CID 8931837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).