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

C10H11NO3 — CID 4228364

IUPAC5-amino-8-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc(N)c2c1OCCC2=O
InChIInChI=1S/C10H11NO3/c1-13-8-3-2-6(11)9-7(12)4-5-14-10(8)9/h2-3H,4-5,11H2,1H3
InChIKeyXAZZOTVJTNXNJT-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds1

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

5-amino-8-methoxy-2,3-dihydrochromen-4-one (PubChem CID 4228364) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-amino-8-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-amino-8-methoxy-2,3-dihydrochromen-4-one
PubChem CID4228364
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-amino-8-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc(N)c2c1OCCC2=O
InChIInChI=1S/C10H11NO3/c1-13-8-3-2-6(11)9-7(12)4-5-14-10(8)9/h2-3H,4-5,11H2,1H3
InChIKeyXAZZOTVJTNXNJT-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
CID 55269506
5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
CID 15045572
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
2-amino-2-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)ethanol
CID 84780583
6-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 22616338
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 142452031
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
CID 156871270

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 5-amino-8-methoxy-2,3-dihydrochromen-4-one (CID 4228364) is 5-amino-8-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-amino-8-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-amino-8-methoxy-2,3-dihydrochromen-4-one is COc1ccc(N)c2c1OCCC2=O.
What is the InChIKey of 5-amino-8-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is XAZZOTVJTNXNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-8-3-2-6(11)9-7(12)4-5-14-10(8)9/h2-3H,4-5,11H2,1H3.
What are the key properties of 5-amino-8-methoxy-2,3-dihydrochromen-4-one?
5-amino-8-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 193.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 4228364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).