6-methyl-4-(1-methylindol-3-yl)chromen-2-one

C19H15NO2 — CID 132548044

IUPAC6-methyl-4-(1-methylindol-3-yl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(-c3cn(C)c4ccccc34)c2c1
InChIInChI=1S/C19H15NO2/c1-12-7-8-18-15(9-12)14(10-19(21)22-18)16-11-20(2)17-6-4-3-5-13(16)17/h3-11H,1-2H3
InChIKeyXLENKQZTPJZXIK-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.26
Rot. Bonds1

About 6-methyl-4-(1-methylindol-3-yl)chromen-2-one

6-methyl-4-(1-methylindol-3-yl)chromen-2-one (PubChem CID 132548044) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methyl-4-(1-methylindol-3-yl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-4-(1-methylindol-3-yl)chromen-2-one
PubChem CID132548044
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name6-methyl-4-(1-methylindol-3-yl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(-c3cn(C)c4ccccc34)c2c1
InChIInChI=1S/C19H15NO2/c1-12-7-8-18-15(9-12)14(10-19(21)22-18)16-11-20(2)17-6-4-3-5-13(16)17/h3-11H,1-2H3
InChIKeyXLENKQZTPJZXIK-UHFFFAOYSA-N
XLogP4.26
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4,6-dimethylchromen-2-one;molecular hydrogen
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1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
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6-methyl-4-(2-phenylethynyl)chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-methylindol-3-yl)chromen-2-one?
The IUPAC name of 6-methyl-4-(1-methylindol-3-yl)chromen-2-one (CID 132548044) is 6-methyl-4-(1-methylindol-3-yl)chromen-2-one.
What is the SMILES notation for 6-methyl-4-(1-methylindol-3-yl)chromen-2-one?
The canonical SMILES for 6-methyl-4-(1-methylindol-3-yl)chromen-2-one is Cc1ccc2oc(=O)cc(-c3cn(C)c4ccccc34)c2c1.
What is the InChIKey of 6-methyl-4-(1-methylindol-3-yl)chromen-2-one?
The InChIKey is XLENKQZTPJZXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-12-7-8-18-15(9-12)14(10-19(21)22-18)16-11-20(2)17-6-4-3-5-13(16)17/h3-11H,1-2H3.
What are the key properties of 6-methyl-4-(1-methylindol-3-yl)chromen-2-one?
6-methyl-4-(1-methylindol-3-yl)chromen-2-one has a molecular weight of 289.33 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-methylindol-3-yl)chromen-2-one is sourced from PubChem (CID 132548044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).