3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one

C18H14N2O3 — CID 46236296

IUPAC3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
SMILESCC(=O)c1ccccc1/N=C/c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C18H14N2O3/c1-11(21)12-6-2-4-8-15(12)20-10-14-17(22)13-7-3-5-9-16(13)23-18(14)19/h2-10H,19H2,1H3/b20-10+
InChIKeyWWWWGCQMDKEMOM-KEBDBYFISA-N
MW306.32 g/mol
LogP3.33
Rot. Bonds3

About 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one

3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one (PubChem CID 46236296) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one.

Molecular Properties

Compound Name3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
PubChem CID46236296
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
SMILESCC(=O)c1ccccc1/N=C/c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C18H14N2O3/c1-11(21)12-6-2-4-8-15(12)20-10-14-17(22)13-7-3-5-9-16(13)23-18(14)19/h2-10H,19H2,1H3/b20-10+
InChIKeyWWWWGCQMDKEMOM-KEBDBYFISA-N
XLogP3.33
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-2-aminochromen-4-one
CID 23195665
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzoate
CID 135485025
N-(2-acetylphenyl)methanimidate
CID 164787794
2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
CID 175257537
1-dibenzofuran-4-ylethanone
CID 15691981
N'-(2-acetylphenyl)methanimidamide;toluene
CID 142061937
3-hydroxy-4-[(2-methylphenyl)iminomethyl]isochromen-1-one
CID 4197309
methyl 2-[(10-hydroxyphenanthren-9-yl)methylideneamino]benzoate
CID 135613003
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine
CID 10356277

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one?
The IUPAC name of 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one (CID 46236296) is 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one.
What is the SMILES notation for 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one?
The canonical SMILES for 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one is CC(=O)c1ccccc1/N=C/c1c(N)oc2ccccc2c1=O.
What is the InChIKey of 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one?
The InChIKey is WWWWGCQMDKEMOM-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(21)12-6-2-4-8-15(12)20-10-14-17(22)13-7-3-5-9-16(13)23-18(14)19/h2-10H,19H2,1H3/b20-10+.
What are the key properties of 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one?
3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one is sourced from PubChem (CID 46236296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).