3-hydroxy-8-piperazin-1-ylchromen-2-one

C13H14N2O3 — CID 22355313

IUPAC3-hydroxy-8-piperazin-1-ylchromen-2-one
SMILESO=c1oc2c(N3CCNCC3)cccc2cc1O
InChIInChI=1S/C13H14N2O3/c16-11-8-9-2-1-3-10(12(9)18-13(11)17)15-6-4-14-5-7-15/h1-3,8,14,16H,4-7H2
InChIKeyDLHHGLPGBYQFFN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.91
Rot. Bonds1

About 3-hydroxy-8-piperazin-1-ylchromen-2-one

3-hydroxy-8-piperazin-1-ylchromen-2-one (PubChem CID 22355313) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-hydroxy-8-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-hydroxy-8-piperazin-1-ylchromen-2-one
PubChem CID22355313
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-hydroxy-8-piperazin-1-ylchromen-2-one
SMILESO=c1oc2c(N3CCNCC3)cccc2cc1O
InChIInChI=1S/C13H14N2O3/c16-11-8-9-2-1-3-10(12(9)18-13(11)17)15-6-4-14-5-7-15/h1-3,8,14,16H,4-7H2
InChIKeyDLHHGLPGBYQFFN-UHFFFAOYSA-N
XLogP0.91
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-hydroxy-8-piperazin-1-ylchromen-2-one (CID 22355313) is 3-hydroxy-8-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-hydroxy-8-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-hydroxy-8-piperazin-1-ylchromen-2-one is O=c1oc2c(N3CCNCC3)cccc2cc1O.
What is the InChIKey of 3-hydroxy-8-piperazin-1-ylchromen-2-one?
The InChIKey is DLHHGLPGBYQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-8-9-2-1-3-10(12(9)18-13(11)17)15-6-4-14-5-7-15/h1-3,8,14,16H,4-7H2.
What are the key properties of 3-hydroxy-8-piperazin-1-ylchromen-2-one?
3-hydroxy-8-piperazin-1-ylchromen-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 22355313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).