5-amino-2,2-dimethyl-3H-chromen-4-one

C11H13NO2 — CID 53418337

IUPAC5-amino-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2c(N)cccc2O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8(13)10-7(12)4-3-5-9(10)14-11/h3-5H,6,12H2,1-2H3
InChIKeyAKGBGYCHUNZILW-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.01
Rot. Bonds

About 5-amino-2,2-dimethyl-3H-chromen-4-one

5-amino-2,2-dimethyl-3H-chromen-4-one (PubChem CID 53418337) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name5-amino-2,2-dimethyl-3H-chromen-4-one
PubChem CID53418337
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-amino-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2c(N)cccc2O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8(13)10-7(12)4-3-5-9(10)14-11/h3-5H,6,12H2,1-2H3
InChIKeyAKGBGYCHUNZILW-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
5-amino-8-methoxy-2,3-dihydro-4H-chromen-4-one
CID 4228364
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-bromophenyl)chromen-4-one
CID 10495586
5-Amino-4'-dimethylaminoflavone
CID 10564703
5-Amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
CID 10592039
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448
5-Amino-2-(4-aminophenyl)-8-fluorochromen-4-one
CID 10754491
5,7-Diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
CID 10853185

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 5-amino-2,2-dimethyl-3H-chromen-4-one (CID 53418337) is 5-amino-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 5-amino-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 5-amino-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2c(N)cccc2O1.
What is the InChIKey of 5-amino-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is AKGBGYCHUNZILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)6-8(13)10-7(12)4-3-5-9(10)14-11/h3-5H,6,12H2,1-2H3.
What are the key properties of 5-amino-2,2-dimethyl-3H-chromen-4-one?
5-amino-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 191.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 53418337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).