5-amino-8-methyl-2,3-dihydrochromen-4-one

C10H11NO2 — CID 5124163

IUPAC5-amino-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(N)c2c1OCCC2=O
InChIInChI=1S/C10H11NO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5,11H2,1H3
InChIKeyIHYMOUOJCUVYSO-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.54
Rot. Bonds

About 5-amino-8-methyl-2,3-dihydrochromen-4-one

5-amino-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 5124163) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-amino-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-amino-8-methyl-2,3-dihydrochromen-4-one
PubChem CID5124163
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-amino-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(N)c2c1OCCC2=O
InChIInChI=1S/C10H11NO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5,11H2,1H3
InChIKeyIHYMOUOJCUVYSO-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-amino-8-methyl-2,3-dihydrochromen-4-one (CID 5124163) is 5-amino-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-amino-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-amino-8-methyl-2,3-dihydrochromen-4-one is Cc1ccc(N)c2c1OCCC2=O.
What is the InChIKey of 5-amino-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is IHYMOUOJCUVYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5,11H2,1H3.
What are the key properties of 5-amino-8-methyl-2,3-dihydrochromen-4-one?
5-amino-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 5124163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).