8-amino-7-hydroxy-3,4-dimethylchromen-2-one

C11H11NO3 — CID 124706841

IUPAC8-amino-7-hydroxy-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(O)c(N)c2oc1=O
InChIInChI=1S/C11H11NO3/c1-5-6(2)11(14)15-10-7(5)3-4-8(13)9(10)12/h3-4,13H,12H2,1-2H3
InChIKeyBRBTYGCIOGIONN-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.70
Rot. Bonds

About 8-amino-7-hydroxy-3,4-dimethylchromen-2-one

8-amino-7-hydroxy-3,4-dimethylchromen-2-one (PubChem CID 124706841) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 8-amino-7-hydroxy-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name8-amino-7-hydroxy-3,4-dimethylchromen-2-one
PubChem CID124706841
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name8-amino-7-hydroxy-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(O)c(N)c2oc1=O
InChIInChI=1S/C11H11NO3/c1-5-6(2)11(14)15-10-7(5)3-4-8(13)9(10)12/h3-4,13H,12H2,1-2H3
InChIKeyBRBTYGCIOGIONN-UHFFFAOYSA-N
XLogP1.70
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-diamino-3-hydroxy-6-methylxanthen-9-one
CID 170260496
8-amino-7-hydroxy-2-methylchromen-4-one
CID 13169563
7-hydroxy-3,4-dimethyl-8-prop-2-enylchromen-2-one
CID 6020802
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516
7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 5417114
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 24799272
3-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
CID 14068749
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbonitrile
CID 24799270
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
CID 5498524
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-hydroxy-3,4-dimethylchromen-2-one?
The IUPAC name of 8-amino-7-hydroxy-3,4-dimethylchromen-2-one (CID 124706841) is 8-amino-7-hydroxy-3,4-dimethylchromen-2-one.
What is the SMILES notation for 8-amino-7-hydroxy-3,4-dimethylchromen-2-one?
The canonical SMILES for 8-amino-7-hydroxy-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(O)c(N)c2oc1=O.
What is the InChIKey of 8-amino-7-hydroxy-3,4-dimethylchromen-2-one?
The InChIKey is BRBTYGCIOGIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-5-6(2)11(14)15-10-7(5)3-4-8(13)9(10)12/h3-4,13H,12H2,1-2H3.
What are the key properties of 8-amino-7-hydroxy-3,4-dimethylchromen-2-one?
8-amino-7-hydroxy-3,4-dimethylchromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-hydroxy-3,4-dimethylchromen-2-one is sourced from PubChem (CID 124706841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).