N-(4-hydroxy-2-oxochromen-3-yl)acetamide

C11H9NO4 — CID 54688415

IUPACN-(4-hydroxy-2-oxochromen-3-yl)acetamide
SMILESCC(=O)Nc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C11H9NO4/c1-6(13)12-9-10(14)7-4-2-3-5-8(7)16-11(9)15/h2-5,14H,1H3,(H,12,13)
InChIKeyRDZIQFIWRUHEJJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.46
Rot. Bonds1

About N-(4-hydroxy-2-oxochromen-3-yl)acetamide

N-(4-hydroxy-2-oxochromen-3-yl)acetamide (PubChem CID 54688415) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxochromen-3-yl)acetamide
PubChem CID54688415
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC NameN-(4-hydroxy-2-oxochromen-3-yl)acetamide
SMILESCC(=O)Nc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C11H9NO4/c1-6(13)12-9-10(14)7-4-2-3-5-8(7)16-11(9)15/h2-5,14H,1H3,(H,12,13)
InChIKeyRDZIQFIWRUHEJJ-UHFFFAOYSA-N
XLogP1.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 N-(4-hydroxy-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-oxochromen-3-yl)acetamide (CID 54688415) is N-(4-hydroxy-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-oxochromen-3-yl)acetamide is CC(=O)Nc1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(4-hydroxy-2-oxochromen-3-yl)acetamide?
The InChIKey is RDZIQFIWRUHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6(13)12-9-10(14)7-4-2-3-5-8(7)16-11(9)15/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(4-hydroxy-2-oxochromen-3-yl)acetamide?
N-(4-hydroxy-2-oxochromen-3-yl)acetamide has a molecular weight of 219.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 54688415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).