N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide

C12H11NO4 — CID 121010797

IUPACN-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide
SMILESCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C12H11NO4/c1-6-5-10(16)17-12-8(6)3-4-9(15)11(12)13-7(2)14/h3-5,15H,1-2H3,(H,13,14)
InChIKeyNITFXIODRALALB-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.77
Rot. Bonds1

About N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide

N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide (PubChem CID 121010797) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide
PubChem CID121010797
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC NameN-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide
SMILESCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C12H11NO4/c1-6-5-10(16)17-12-8(6)3-4-9(15)11(12)13-7(2)14/h3-5,15H,1-2H3,(H,13,14)
InChIKeyNITFXIODRALALB-UHFFFAOYSA-N
XLogP1.77
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide?
The IUPAC name of N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide (CID 121010797) is N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide.
What is the SMILES notation for N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide?
The canonical SMILES for N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide is CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12.
What is the InChIKey of N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide?
The InChIKey is NITFXIODRALALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6-5-10(16)17-12-8(6)3-4-9(15)11(12)13-7(2)14/h3-5,15H,1-2H3,(H,13,14).
What are the key properties of N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide?
N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide has a molecular weight of 233.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-4-methyl-2-oxochromen-8-yl)acetamide is sourced from PubChem (CID 121010797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).