8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one

C12H13NO3 — CID 71342682

IUPAC8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
SMILESCCc1cc2c(C)cc(=O)oc2c(N)c1O
InChIInChI=1S/C12H13NO3/c1-3-7-5-8-6(2)4-9(14)16-12(8)10(13)11(7)15/h4-5,15H,3,13H2,1-2H3
InChIKeySAOIDNFWSGTYBT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.95
Rot. Bonds1

About 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one

8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one (PubChem CID 71342682) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
PubChem CID71342682
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
SMILESCCc1cc2c(C)cc(=O)oc2c(N)c1O
InChIInChI=1S/C12H13NO3/c1-3-7-5-8-6(2)4-9(14)16-12(8)10(13)11(7)15/h4-5,15H,3,13H2,1-2H3
InChIKeySAOIDNFWSGTYBT-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.95
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-6-ethyl-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one (CID 71342682) is 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one is CCc1cc2c(C)cc(=O)oc2c(N)c1O.
What is the InChIKey of 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one?
The InChIKey is SAOIDNFWSGTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-7-5-8-6(2)4-9(14)16-12(8)10(13)11(7)15/h4-5,15H,3,13H2,1-2H3.
What are the key properties of 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one?
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 71342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).