4-(2-hydroxyethylamino)chromen-2-one

C11H11NO3 — CID 2301125

IUPAC4-(2-hydroxyethylamino)chromen-2-one
SMILESO=c1cc(NCCO)c2ccccc2o1
InChIInChI=1S/C11H11NO3/c13-6-5-12-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2
InChIKeyCPSFCSRBIIMKAA-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.20
Rot. Bonds3

About 4-(2-hydroxyethylamino)chromen-2-one

4-(2-hydroxyethylamino)chromen-2-one (PubChem CID 2301125) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)chromen-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)chromen-2-one
PubChem CID2301125
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(2-hydroxyethylamino)chromen-2-one
SMILESO=c1cc(NCCO)c2ccccc2o1
InChIInChI=1S/C11H11NO3/c13-6-5-12-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2
InChIKeyCPSFCSRBIIMKAA-UHFFFAOYSA-N
XLogP1.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
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 4-(2-hydroxyethylamino)chromen-2-one?
The IUPAC name of 4-(2-hydroxyethylamino)chromen-2-one (CID 2301125) is 4-(2-hydroxyethylamino)chromen-2-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)chromen-2-one?
The canonical SMILES for 4-(2-hydroxyethylamino)chromen-2-one is O=c1cc(NCCO)c2ccccc2o1.
What is the InChIKey of 4-(2-hydroxyethylamino)chromen-2-one?
The InChIKey is CPSFCSRBIIMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-5-12-9-7-11(14)15-10-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2.
What are the key properties of 4-(2-hydroxyethylamino)chromen-2-one?
4-(2-hydroxyethylamino)chromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)chromen-2-one is sourced from PubChem (CID 2301125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).