N-(2-oxochromen-6-yl)acetamide

C11H9NO3 — CID 13262

IUPACN-(2-oxochromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)
InChIKeyUCNNBCBFCASUHR-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.75
Rot. Bonds1

About N-(2-oxochromen-6-yl)acetamide

N-(2-oxochromen-6-yl)acetamide (PubChem CID 13262) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)acetamide
PubChem CID13262
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC NameN-(2-oxochromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)
InChIKeyUCNNBCBFCASUHR-UHFFFAOYSA-N
XLogP1.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.75
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 N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of N-(2-oxochromen-6-yl)acetamide (CID 13262) is N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for N-(2-oxochromen-6-yl)acetamide is CC(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(2-oxochromen-6-yl)acetamide?
The InChIKey is UCNNBCBFCASUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13).
What are the key properties of N-(2-oxochromen-6-yl)acetamide?
N-(2-oxochromen-6-yl)acetamide has a molecular weight of 203.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 13262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).