2-(5-methylindol-1-yl)chromen-4-one

C18H13NO2 — CID 15264242

IUPAC2-(5-methylindol-1-yl)chromen-4-one
SMILESCc1ccc2c(ccn2-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H13NO2/c1-12-6-7-15-13(10-12)8-9-19(15)18-11-16(20)14-4-2-3-5-17(14)21-18/h2-11H,1H3
InChIKeyHAZSALCKQBKNIP-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.05
Rot. Bonds1

About 2-(5-methylindol-1-yl)chromen-4-one

2-(5-methylindol-1-yl)chromen-4-one (PubChem CID 15264242) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)chromen-4-one.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)chromen-4-one
PubChem CID15264242
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(5-methylindol-1-yl)chromen-4-one
SMILESCc1ccc2c(ccn2-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H13NO2/c1-12-6-7-15-13(10-12)8-9-19(15)18-11-16(20)14-4-2-3-5-17(14)21-18/h2-11H,1H3
InChIKeyHAZSALCKQBKNIP-UHFFFAOYSA-N
XLogP4.05
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)chromen-4-one?
The IUPAC name of 2-(5-methylindol-1-yl)chromen-4-one (CID 15264242) is 2-(5-methylindol-1-yl)chromen-4-one.
What is the SMILES notation for 2-(5-methylindol-1-yl)chromen-4-one?
The canonical SMILES for 2-(5-methylindol-1-yl)chromen-4-one is Cc1ccc2c(ccn2-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-(5-methylindol-1-yl)chromen-4-one?
The InChIKey is HAZSALCKQBKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-12-6-7-15-13(10-12)8-9-19(15)18-11-16(20)14-4-2-3-5-17(14)21-18/h2-11H,1H3.
What are the key properties of 2-(5-methylindol-1-yl)chromen-4-one?
2-(5-methylindol-1-yl)chromen-4-one has a molecular weight of 275.31 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)chromen-4-one is sourced from PubChem (CID 15264242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).