3-acetyl-2-aminochromen-4-one

C11H9NO3 — CID 23195665

IUPAC3-acetyl-2-aminochromen-4-one
SMILESCC(=O)c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)15-11(9)12/h2-5H,12H2,1H3
InChIKeyANARYHVLOSYPRL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.58
Rot. Bonds1

About 3-acetyl-2-aminochromen-4-one

3-acetyl-2-aminochromen-4-one (PubChem CID 23195665) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-acetyl-2-aminochromen-4-one.

Molecular Properties

Compound Name3-acetyl-2-aminochromen-4-one
PubChem CID23195665
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-acetyl-2-aminochromen-4-one
SMILESCC(=O)c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)15-11(9)12/h2-5H,12H2,1H3
InChIKeyANARYHVLOSYPRL-UHFFFAOYSA-N
XLogP1.58
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
CID 175257537
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 7463353
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
CID 46236296
3-acetyl-4-phenylchromen-2-one
CID 56965161
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
propane;xanthen-9-one
CID 90876458
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
3-acetyl-4-benzylchromen-2-one
CID 100994271
2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
CID 170893258

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-aminochromen-4-one?
The IUPAC name of 3-acetyl-2-aminochromen-4-one (CID 23195665) is 3-acetyl-2-aminochromen-4-one.
What is the SMILES notation for 3-acetyl-2-aminochromen-4-one?
The canonical SMILES for 3-acetyl-2-aminochromen-4-one is CC(=O)c1c(N)oc2ccccc2c1=O.
What is the InChIKey of 3-acetyl-2-aminochromen-4-one?
The InChIKey is ANARYHVLOSYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)15-11(9)12/h2-5H,12H2,1H3.
What are the key properties of 3-acetyl-2-aminochromen-4-one?
3-acetyl-2-aminochromen-4-one has a molecular weight of 203.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-aminochromen-4-one is sourced from PubChem (CID 23195665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).