4-(2-hydroxypropylamino)chromen-2-one

C12H13NO3 — CID 3161638

IUPAC4-(2-hydroxypropylamino)chromen-2-one
SMILESCC(O)CNc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H13NO3/c1-8(14)7-13-10-6-12(15)16-11-5-3-2-4-9(10)11/h2-6,8,13-14H,7H2,1H3
InChIKeyWDTKBHUGXWGDGH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.59
Rot. Bonds3

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

4-(2-hydroxypropylamino)chromen-2-one (PubChem CID 3161638) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)chromen-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)chromen-2-one
PubChem CID3161638
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(2-hydroxypropylamino)chromen-2-one
SMILESCC(O)CNc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H13NO3/c1-8(14)7-13-10-6-12(15)16-11-5-3-2-4-9(10)11/h2-6,8,13-14H,7H2,1H3
InChIKeyWDTKBHUGXWGDGH-UHFFFAOYSA-N
XLogP1.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.59
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-hydroxypropylamino)chromen-2-one?
The IUPAC name of 4-(2-hydroxypropylamino)chromen-2-one (CID 3161638) is 4-(2-hydroxypropylamino)chromen-2-one.
What is the SMILES notation for 4-(2-hydroxypropylamino)chromen-2-one?
The canonical SMILES for 4-(2-hydroxypropylamino)chromen-2-one is CC(O)CNc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-(2-hydroxypropylamino)chromen-2-one?
The InChIKey is WDTKBHUGXWGDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)7-13-10-6-12(15)16-11-5-3-2-4-9(10)11/h2-6,8,13-14H,7H2,1H3.
What are the key properties of 4-(2-hydroxypropylamino)chromen-2-one?
4-(2-hydroxypropylamino)chromen-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)chromen-2-one is sourced from PubChem (CID 3161638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).