4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione

C14H10N2O5 — CID 66083789

IUPAC4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(=O)c3ccccc3o2)CC(=O)N1
InChIInChI=1S/C14H10N2O5/c17-9-5-11(21-10-4-2-1-3-8(9)10)14(20)16-6-12(18)15-13(19)7-16/h1-5H,6-7H2,(H,15,18,19)
InChIKeyXWVXYJJVQRQYGI-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.11
Rot. Bonds1

About 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione

4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione (PubChem CID 66083789) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione
PubChem CID66083789
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(=O)c3ccccc3o2)CC(=O)N1
InChIInChI=1S/C14H10N2O5/c17-9-5-11(21-10-4-2-1-3-8(9)10)14(20)16-6-12(18)15-13(19)7-16/h1-5H,6-7H2,(H,15,18,19)
InChIKeyXWVXYJJVQRQYGI-UHFFFAOYSA-N
XLogP-0.11
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione (CID 66083789) is 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2cc(=O)c3ccccc3o2)CC(=O)N1.
What is the InChIKey of 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is XWVXYJJVQRQYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-9-5-11(21-10-4-2-1-3-8(9)10)14(20)16-6-12(18)15-13(19)7-16/h1-5H,6-7H2,(H,15,18,19).
What are the key properties of 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione?
4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione has a molecular weight of 286.24 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxochromene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66083789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).