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

C10H11NO2 — CID 55297743

IUPAC7-amino-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(N)ccc2c1OCCC2=O
InChIInChI=1S/C10H11NO2/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3H,4-5,11H2,1H3
InChIKeyFIJZPLIGRNPPCO-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.54
Rot. Bonds

About 7-amino-8-methyl-2,3-dihydrochromen-4-one

7-amino-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 55297743) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-amino-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-amino-8-methyl-2,3-dihydrochromen-4-one
PubChem CID55297743
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-amino-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(N)ccc2c1OCCC2=O
InChIInChI=1S/C10H11NO2/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3H,4-5,11H2,1H3
InChIKeyFIJZPLIGRNPPCO-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 7-amino-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-amino-8-methyl-2,3-dihydrochromen-4-one (CID 55297743) is 7-amino-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-amino-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-amino-8-methyl-2,3-dihydrochromen-4-one is Cc1c(N)ccc2c1OCCC2=O.
What is the InChIKey of 7-amino-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is FIJZPLIGRNPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3H,4-5,11H2,1H3.
What are the key properties of 7-amino-8-methyl-2,3-dihydrochromen-4-one?
7-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 7-amino-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 55297743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).