2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one

C14H15NO3 — CID 175257537

IUPAC2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
SMILESCC(C)(C)C(=O)c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C14H15NO3/c1-14(2,3)12(17)10-11(16)8-6-4-5-7-9(8)18-13(10)15/h4-7H,15H2,1-3H3
InChIKeyYKAJQTLSGBUHTH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.60
Rot. Bonds1

About 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one

2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one (PubChem CID 175257537) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one.

Molecular Properties

Compound Name2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
PubChem CID175257537
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
SMILESCC(C)(C)C(=O)c1c(N)oc2ccccc2c1=O
InChIInChI=1S/C14H15NO3/c1-14(2,3)12(17)10-11(16)8-6-4-5-7-9(8)18-13(10)15/h4-7H,15H2,1-3H3
InChIKeyYKAJQTLSGBUHTH-UHFFFAOYSA-N
XLogP2.60
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-2-aminochromen-4-one
CID 23195665
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 7463353
propane;xanthen-9-one
CID 90876458
3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
CID 46236296
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one
CID 10934079
2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
CID 170893258
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one?
The IUPAC name of 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one (CID 175257537) is 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one.
What is the SMILES notation for 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one?
The canonical SMILES for 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one is CC(C)(C)C(=O)c1c(N)oc2ccccc2c1=O.
What is the InChIKey of 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one?
The InChIKey is YKAJQTLSGBUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,3)12(17)10-11(16)8-6-4-5-7-9(8)18-13(10)15/h4-7H,15H2,1-3H3.
What are the key properties of 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one?
2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one has a molecular weight of 245.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one is sourced from PubChem (CID 175257537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).