8-amino-7-hydroxy-4-methylchromen-2-one

C10H9NO3 — CID 5310473

IUPAC8-amino-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(N)c(O)ccc12
InChIInChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3
InChIKeyOBCTUTOUGBMEOK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.39
Rot. Bonds

About 8-amino-7-hydroxy-4-methylchromen-2-one

8-amino-7-hydroxy-4-methylchromen-2-one (PubChem CID 5310473) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-amino-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-amino-7-hydroxy-4-methylchromen-2-one
PubChem CID5310473
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name8-amino-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(N)c(O)ccc12
InChIInChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3
InChIKeyOBCTUTOUGBMEOK-UHFFFAOYSA-N
XLogP1.39
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-amino-7-hydroxy-4-methylchromen-2-one (CID 5310473) is 8-amino-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-amino-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-amino-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(N)c(O)ccc12.
What is the InChIKey of 8-amino-7-hydroxy-4-methylchromen-2-one?
The InChIKey is OBCTUTOUGBMEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3.
What are the key properties of 8-amino-7-hydroxy-4-methylchromen-2-one?
8-amino-7-hydroxy-4-methylchromen-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.39, 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-4-methylchromen-2-one is sourced from PubChem (CID 5310473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).