6-amino-7-(2-aminoethyl)chromen-2-one

C11H12N2O2 — CID 11615385

IUPAC6-amino-7-(2-aminoethyl)chromen-2-one
SMILESNCCc1cc2oc(=O)ccc2cc1N
InChIInChI=1S/C11H12N2O2/c12-4-3-7-6-10-8(5-9(7)13)1-2-11(14)15-10/h1-2,5-6H,3-4,12-13H2
InChIKeyDECRZXFPQZICFS-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds2

About 6-amino-7-(2-aminoethyl)chromen-2-one

6-amino-7-(2-aminoethyl)chromen-2-one (PubChem CID 11615385) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-amino-7-(2-aminoethyl)chromen-2-one.

Molecular Properties

Compound Name6-amino-7-(2-aminoethyl)chromen-2-one
PubChem CID11615385
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-amino-7-(2-aminoethyl)chromen-2-one
SMILESNCCc1cc2oc(=O)ccc2cc1N
InChIInChI=1S/C11H12N2O2/c12-4-3-7-6-10-8(5-9(7)13)1-2-11(14)15-10/h1-2,5-6H,3-4,12-13H2
InChIKeyDECRZXFPQZICFS-UHFFFAOYSA-N
XLogP0.88
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
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 6-amino-7-(2-aminoethyl)chromen-2-one?
The IUPAC name of 6-amino-7-(2-aminoethyl)chromen-2-one (CID 11615385) is 6-amino-7-(2-aminoethyl)chromen-2-one.
What is the SMILES notation for 6-amino-7-(2-aminoethyl)chromen-2-one?
The canonical SMILES for 6-amino-7-(2-aminoethyl)chromen-2-one is NCCc1cc2oc(=O)ccc2cc1N.
What is the InChIKey of 6-amino-7-(2-aminoethyl)chromen-2-one?
The InChIKey is DECRZXFPQZICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-4-3-7-6-10-8(5-9(7)13)1-2-11(14)15-10/h1-2,5-6H,3-4,12-13H2.
What are the key properties of 6-amino-7-(2-aminoethyl)chromen-2-one?
6-amino-7-(2-aminoethyl)chromen-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-aminoethyl)chromen-2-one is sourced from PubChem (CID 11615385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).