3-amino-4-hydroxy-5,8-dimethylchromen-2-one

C11H11NO3 — CID 82371893

IUPAC3-amino-4-hydroxy-5,8-dimethylchromen-2-one
SMILESCc1ccc(C)c2c(O)c(N)c(=O)oc12
InChIInChI=1S/C11H11NO3/c1-5-3-4-6(2)10-7(5)9(13)8(12)11(14)15-10/h3-4,13H,12H2,1-2H3
InChIKeyFCECHWQHVIHWQQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.70
Rot. Bonds

About 3-amino-4-hydroxy-5,8-dimethylchromen-2-one

3-amino-4-hydroxy-5,8-dimethylchromen-2-one (PubChem CID 82371893) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-amino-4-hydroxy-5,8-dimethylchromen-2-one.

Molecular Properties

Compound Name3-amino-4-hydroxy-5,8-dimethylchromen-2-one
PubChem CID82371893
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-amino-4-hydroxy-5,8-dimethylchromen-2-one
SMILESCc1ccc(C)c2c(O)c(N)c(=O)oc12
InChIInChI=1S/C11H11NO3/c1-5-3-4-6(2)10-7(5)9(13)8(12)11(14)15-10/h3-4,13H,12H2,1-2H3
InChIKeyFCECHWQHVIHWQQ-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': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87782015
2-amino-1,3-dihydroxy-4,5,6-trimethylxanthen-9-one
CID 91484908
4,5-diamino-3-hydroxy-6-methylxanthen-9-one
CID 170260496
3-amino-8-chloro-4-hydroxychromen-2-one
CID 130018302
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
8-hydroxy-7-methylchromen-2-one
CID 145496971
3-amino-4-methylbenzene-1,2-diol
CID 54091209
1-hydroxy-2-methylbenzo[c]chromen-6-one
CID 57325981
4-hydroxy-8-methyl-2-oxochromene-3-carbonitrile;hydrate
CID 159853913
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682
8-amino-7-hydroxy-2-methylchromen-4-one
CID 13169563

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-5,8-dimethylchromen-2-one?
The IUPAC name of 3-amino-4-hydroxy-5,8-dimethylchromen-2-one (CID 82371893) is 3-amino-4-hydroxy-5,8-dimethylchromen-2-one.
What is the SMILES notation for 3-amino-4-hydroxy-5,8-dimethylchromen-2-one?
The canonical SMILES for 3-amino-4-hydroxy-5,8-dimethylchromen-2-one is Cc1ccc(C)c2c(O)c(N)c(=O)oc12.
What is the InChIKey of 3-amino-4-hydroxy-5,8-dimethylchromen-2-one?
The InChIKey is FCECHWQHVIHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-5-3-4-6(2)10-7(5)9(13)8(12)11(14)15-10/h3-4,13H,12H2,1-2H3.
What are the key properties of 3-amino-4-hydroxy-5,8-dimethylchromen-2-one?
3-amino-4-hydroxy-5,8-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 3-amino-4-hydroxy-5,8-dimethylchromen-2-one is sourced from PubChem (CID 82371893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).