5,7-dihydro-3H-chromene-2,6-dione

C9H8O3 — CID 22340854

IUPAC5,7-dihydro-3H-chromene-2,6-dione
SMILESO=C1CC=C2OC(=O)CC=C2C1
InChIInChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1,3H,2,4-5H2
InChIKeyYXNWUXQKXBZOLQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.11
Rot. Bonds

About 5,7-dihydro-3H-chromene-2,6-dione

5,7-dihydro-3H-chromene-2,6-dione (PubChem CID 22340854) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5,7-dihydro-3H-chromene-2,6-dione.

Molecular Properties

Compound Name5,7-dihydro-3H-chromene-2,6-dione
PubChem CID22340854
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name5,7-dihydro-3H-chromene-2,6-dione
SMILESO=C1CC=C2OC(=O)CC=C2C1
InChIInChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1,3H,2,4-5H2
InChIKeyYXNWUXQKXBZOLQ-UHFFFAOYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-3H-chromene-2,6-dione?
The IUPAC name of 5,7-dihydro-3H-chromene-2,6-dione (CID 22340854) is 5,7-dihydro-3H-chromene-2,6-dione.
What is the SMILES notation for 5,7-dihydro-3H-chromene-2,6-dione?
The canonical SMILES for 5,7-dihydro-3H-chromene-2,6-dione is O=C1CC=C2OC(=O)CC=C2C1.
What is the InChIKey of 5,7-dihydro-3H-chromene-2,6-dione?
The InChIKey is YXNWUXQKXBZOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1,3H,2,4-5H2.
What are the key properties of 5,7-dihydro-3H-chromene-2,6-dione?
5,7-dihydro-3H-chromene-2,6-dione has a molecular weight of 164.16 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-3H-chromene-2,6-dione is sourced from PubChem (CID 22340854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).