7-(2-aminoethoxy)chromen-2-one

C11H11NO3 — CID 82506816

IUPAC7-(2-aminoethoxy)chromen-2-one
SMILESNCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C11H11NO3/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-4,7H,5-6,12H2
InChIKeyWNWHGNADZIEBNW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.13
Rot. Bonds3

About 7-(2-aminoethoxy)chromen-2-one

7-(2-aminoethoxy)chromen-2-one (PubChem CID 82506816) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-(2-aminoethoxy)chromen-2-one.

Molecular Properties

Compound Name7-(2-aminoethoxy)chromen-2-one
PubChem CID82506816
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-(2-aminoethoxy)chromen-2-one
SMILESNCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C11H11NO3/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-4,7H,5-6,12H2
InChIKeyWNWHGNADZIEBNW-UHFFFAOYSA-N
XLogP1.13
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)chromen-2-one?
The IUPAC name of 7-(2-aminoethoxy)chromen-2-one (CID 82506816) is 7-(2-aminoethoxy)chromen-2-one.
What is the SMILES notation for 7-(2-aminoethoxy)chromen-2-one?
The canonical SMILES for 7-(2-aminoethoxy)chromen-2-one is NCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(2-aminoethoxy)chromen-2-one?
The InChIKey is WNWHGNADZIEBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-4,7H,5-6,12H2.
What are the key properties of 7-(2-aminoethoxy)chromen-2-one?
7-(2-aminoethoxy)chromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)chromen-2-one is sourced from PubChem (CID 82506816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).