6-amino-2,2,3-trimethyl-3H-chromen-4-one

C12H15NO2 — CID 19387214

IUPAC6-amino-2,2,3-trimethyl-3H-chromen-4-one
SMILESCC1C(=O)c2cc(N)ccc2OC1(C)C
InChIInChI=1S/C12H15NO2/c1-7-11(14)9-6-8(13)4-5-10(9)15-12(7,2)3/h4-7H,13H2,1-3H3
InChIKeyUJMILODMZXBMMW-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.26
Rot. Bonds

About 6-amino-2,2,3-trimethyl-3H-chromen-4-one

6-amino-2,2,3-trimethyl-3H-chromen-4-one (PubChem CID 19387214) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-amino-2,2,3-trimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-amino-2,2,3-trimethyl-3H-chromen-4-one
PubChem CID19387214
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-amino-2,2,3-trimethyl-3H-chromen-4-one
SMILESCC1C(=O)c2cc(N)ccc2OC1(C)C
InChIInChI=1S/C12H15NO2/c1-7-11(14)9-6-8(13)4-5-10(9)15-12(7,2)3/h4-7H,13H2,1-3H3
InChIKeyUJMILODMZXBMMW-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-2,2,3-trimethyl-3H-chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-3,4-benzocoumarin
CID 347218
6-Amino-3-phenyl-2H-chromen-2-one
CID 617017
6-Nitro-2-phenylchromen-4-one
CID 15731470
2,7-diamino-9H-xanthen-9-one
CID 2770072
3-(5-Methylfuran-2-yl)aniline
CID 793234
6-Aminoflavone
CID 16217320
6-amino-4H-chromen-4-one
CID 19438826
4'-Aminoflavone
CID 177048
2,7-Dinitro-9H-xanthen-9-one
CID 233726
Methyl 2-(4-aminophenoxy)benzoate
CID 2763848
2-(2-Aminophenyl)-6-methylchromen-4-one
CID 11107795
3-[2-(3-Aminophenyl)ethynyl]xanthen-9-one
CID 44142358

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2,3-trimethyl-3H-chromen-4-one?
The IUPAC name of 6-amino-2,2,3-trimethyl-3H-chromen-4-one (CID 19387214) is 6-amino-2,2,3-trimethyl-3H-chromen-4-one.
What is the SMILES notation for 6-amino-2,2,3-trimethyl-3H-chromen-4-one?
The canonical SMILES for 6-amino-2,2,3-trimethyl-3H-chromen-4-one is CC1C(=O)c2cc(N)ccc2OC1(C)C.
What is the InChIKey of 6-amino-2,2,3-trimethyl-3H-chromen-4-one?
The InChIKey is UJMILODMZXBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-11(14)9-6-8(13)4-5-10(9)15-12(7,2)3/h4-7H,13H2,1-3H3.
What are the key properties of 6-amino-2,2,3-trimethyl-3H-chromen-4-one?
6-amino-2,2,3-trimethyl-3H-chromen-4-one has a molecular weight of 205.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2,3-trimethyl-3H-chromen-4-one is sourced from PubChem (CID 19387214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).