7-amino-4-(methoxymethyl)chromen-2-one

C11H11NO3 — CID 519442

IUPAC7-amino-4-(methoxymethyl)chromen-2-one
SMILESCOCc1cc(=O)oc2cc(N)ccc12
InChIInChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3
InChIKeyQZZLLHOMMCKWIQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.52
Rot. Bonds2

About 7-amino-4-(methoxymethyl)chromen-2-one

7-amino-4-(methoxymethyl)chromen-2-one (PubChem CID 519442) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-amino-4-(methoxymethyl)chromen-2-one.

Molecular Properties

Compound Name7-amino-4-(methoxymethyl)chromen-2-one
PubChem CID519442
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-amino-4-(methoxymethyl)chromen-2-one
SMILESCOCc1cc(=O)oc2cc(N)ccc12
InChIInChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3
InChIKeyQZZLLHOMMCKWIQ-UHFFFAOYSA-N
XLogP1.52
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(methoxymethyl)chromen-2-one?
The IUPAC name of 7-amino-4-(methoxymethyl)chromen-2-one (CID 519442) is 7-amino-4-(methoxymethyl)chromen-2-one.
What is the SMILES notation for 7-amino-4-(methoxymethyl)chromen-2-one?
The canonical SMILES for 7-amino-4-(methoxymethyl)chromen-2-one is COCc1cc(=O)oc2cc(N)ccc12.
What is the InChIKey of 7-amino-4-(methoxymethyl)chromen-2-one?
The InChIKey is QZZLLHOMMCKWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3.
What are the key properties of 7-amino-4-(methoxymethyl)chromen-2-one?
7-amino-4-(methoxymethyl)chromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(methoxymethyl)chromen-2-one is sourced from PubChem (CID 519442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).