(3-acetamido-2-oxochromen-7-yl) acetate

C13H11NO5 — CID 763581

IUPAC(3-acetamido-2-oxochromen-7-yl) acetate
SMILESCC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
InChIInChI=1S/C13H11NO5/c1-7(15)14-11-5-9-3-4-10(18-8(2)16)6-12(9)19-13(11)17/h3-6H,1-2H3,(H,14,15)
InChIKeyOBDYUBVEBKAGNI-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.68
Rot. Bonds2

About (3-acetamido-2-oxochromen-7-yl) acetate

(3-acetamido-2-oxochromen-7-yl) acetate (PubChem CID 763581) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is (3-acetamido-2-oxochromen-7-yl) acetate.

Molecular Properties

Compound Name(3-acetamido-2-oxochromen-7-yl) acetate
PubChem CID763581
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name(3-acetamido-2-oxochromen-7-yl) acetate
SMILESCC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
InChIInChI=1S/C13H11NO5/c1-7(15)14-11-5-9-3-4-10(18-8(2)16)6-12(9)19-13(11)17/h3-6H,1-2H3,(H,14,15)
InChIKeyOBDYUBVEBKAGNI-UHFFFAOYSA-N
XLogP1.68
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamidocoumarin
CID 136620
N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydro-2H-pyran-2-yloxy)-2-oxo-2H-chromen-3-yl)acetamide
CID 11682632
N-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide
CID 54688415
3-Amino-4,7-dihydroxycoumarin
CID 54691343
7-Acetonyloxy-3-acetylamino-8-methoxycoumarin
CID 11623661
2-(Tert-butoxycarbonylamino)propionic acid (2-ketochromen-7-yl) ester
CID 657684
N-(8-allyl-2-oxo-2H-chromen-3-yl)acetamide
CID 763579
2-[(3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 889783
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3887001
(E)-N,N'-bis[7-[3-(dimethylamino)propoxy]-8-methyl-2-oxochromen-3-yl]hex-3-enediamide
CID 54576131
2-methylpropyl N-(2-oxochromen-3-yl)carbamate
CID 73353370
N-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-3-yl]acetamide
CID 76314463

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-2-oxochromen-7-yl) acetate?
The IUPAC name of (3-acetamido-2-oxochromen-7-yl) acetate (CID 763581) is (3-acetamido-2-oxochromen-7-yl) acetate.
What is the SMILES notation for (3-acetamido-2-oxochromen-7-yl) acetate?
The canonical SMILES for (3-acetamido-2-oxochromen-7-yl) acetate is CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O.
What is the InChIKey of (3-acetamido-2-oxochromen-7-yl) acetate?
The InChIKey is OBDYUBVEBKAGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-7(15)14-11-5-9-3-4-10(18-8(2)16)6-12(9)19-13(11)17/h3-6H,1-2H3,(H,14,15).
What are the key properties of (3-acetamido-2-oxochromen-7-yl) acetate?
(3-acetamido-2-oxochromen-7-yl) acetate has a molecular weight of 261.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-2-oxochromen-7-yl) acetate is sourced from PubChem (CID 763581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).