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

C11H13NO2 — CID 25417257

IUPAC6-amino-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(N)ccc2O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3
InChIKeyRLSGWLLNYBYPSZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.01
Rot. Bonds

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

6-amino-2,2-dimethyl-3H-chromen-4-one (PubChem CID 25417257) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-amino-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-amino-2,2-dimethyl-3H-chromen-4-one
PubChem CID25417257
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-amino-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(N)ccc2O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3
InChIKeyRLSGWLLNYBYPSZ-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

6-Amino-3,4-benzocoumarin
CID 347218
6-Amino-3-phenyl-2H-chromen-2-one
CID 617017
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
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
3-(anilinothio)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
CID 12005209
N-[2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49864135
4'-Aminoflavone
CID 177048
2,7-Dinitro-9H-xanthen-9-one
CID 233726

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 6-amino-2,2-dimethyl-3H-chromen-4-one (CID 25417257) is 6-amino-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 6-amino-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 6-amino-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2cc(N)ccc2O1.
What is the InChIKey of 6-amino-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is RLSGWLLNYBYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3.
What are the key properties of 6-amino-2,2-dimethyl-3H-chromen-4-one?
6-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 6-amino-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 25417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).