2-methyl-N-(2-oxochromen-6-yl)propanamide

C13H13NO3 — CID 2213740

IUPAC2-methyl-N-(2-oxochromen-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-8(2)13(16)14-10-4-5-11-9(7-10)3-6-12(15)17-11/h3-8H,1-2H3,(H,14,16)
InChIKeyHAOQRNMJIFRPHA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-N-(2-oxochromen-6-yl)propanamide

2-methyl-N-(2-oxochromen-6-yl)propanamide (PubChem CID 2213740) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methyl-N-(2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxochromen-6-yl)propanamide
PubChem CID2213740
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-methyl-N-(2-oxochromen-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-8(2)13(16)14-10-4-5-11-9(7-10)3-6-12(15)17-11/h3-8H,1-2H3,(H,14,16)
InChIKeyHAOQRNMJIFRPHA-UHFFFAOYSA-N
XLogP2.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 2-methyl-N-(2-oxochromen-6-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-oxochromen-6-yl)propanamide (CID 2213740) is 2-methyl-N-(2-oxochromen-6-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-oxochromen-6-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-oxochromen-6-yl)propanamide is CC(C)C(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-methyl-N-(2-oxochromen-6-yl)propanamide?
The InChIKey is HAOQRNMJIFRPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(2)13(16)14-10-4-5-11-9(7-10)3-6-12(15)17-11/h3-8H,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-oxochromen-6-yl)propanamide?
2-methyl-N-(2-oxochromen-6-yl)propanamide has a molecular weight of 231.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 2213740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).