5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione

C14H12N2O3 — CID 168528319

IUPAC5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione
SMILESCn1c(=O)c2cccc(-c3ccco3)c2c(=O)n1C
InChIInChI=1S/C14H12N2O3/c1-15-13(17)10-6-3-5-9(11-7-4-8-19-11)12(10)14(18)16(15)2/h3-8H,1-2H3
InChIKeyIRXQXONUMJURRF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.50
Rot. Bonds1

About 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione

5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione (PubChem CID 168528319) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione
PubChem CID168528319
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione
SMILESCn1c(=O)c2cccc(-c3ccco3)c2c(=O)n1C
InChIInChI=1S/C14H12N2O3/c1-15-13(17)10-6-3-5-9(11-7-4-8-19-11)12(10)14(18)16(15)2/h3-8H,1-2H3
InChIKeyIRXQXONUMJURRF-UHFFFAOYSA-N
XLogP1.50
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 142748745
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CID 15733006
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CID 161366084
5-(furan-2-yl)quinoline
CID 135387674
ethane;2-(2-methylphenyl)furan
CID 142082580
2-(2-chloro-3-methylphenyl)furan
CID 168528578
7-(furan-2-yl)-3-iodo-2H-indazole
CID 168527750
2-[6-(furan-2-yl)-3,8-dimethylpyren-1-yl]furan
CID 59510179
2-(2-propan-2-ylphenyl)furan
CID 23404422
3-(furan-2-yl)-1,4-dimethylpyrrole
CID 141307335
5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 78578190
8-(furan-2-yl)-1H-quinolin-2-one
CID 168527981

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione?
The IUPAC name of 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione (CID 168528319) is 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione?
The canonical SMILES for 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione is Cn1c(=O)c2cccc(-c3ccco3)c2c(=O)n1C.
What is the InChIKey of 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione?
The InChIKey is IRXQXONUMJURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-15-13(17)10-6-3-5-9(11-7-4-8-19-11)12(10)14(18)16(15)2/h3-8H,1-2H3.
What are the key properties of 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione?
5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione has a molecular weight of 256.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2,3-dimethylphthalazine-1,4-dione is sourced from PubChem (CID 168528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).