5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C16H15NO3 — CID 102487597

IUPAC5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccccc1)c2=O
InChIInChI=1S/C16H15NO3/c1-16(2)12-8-9-17(10-11-6-4-3-5-7-11)14(18)13(12)15(19)20-16/h3-9H,10H2,1-2H3
InChIKeyPYOJCXXVRTYNEL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.30
Rot. Bonds2

About 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 102487597) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID102487597
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccccc1)c2=O
InChIInChI=1S/C16H15NO3/c1-16(2)12-8-9-17(10-11-6-4-3-5-7-11)14(18)13(12)15(19)20-16/h3-9H,10H2,1-2H3
InChIKeyPYOJCXXVRTYNEL-UHFFFAOYSA-N
XLogP2.30
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorobenzyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694387
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
5-[2-(2-chlorophenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683879
1,1-Dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
CID 70686012
Methyl 1,4-dibenzyl-2-oxopyridine-3-carboxylate
CID 57390343
Methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
CID 57393891
Methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
Methyl 1-benzyl-4-(2-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57402610
5-(2,4-Dichlorobenzyl)-1,1-dimethyl-1h,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683878
5-[2-(4-chlorophenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690175
5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690179
5-[2-(4-Fluorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
CID 70692327

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 102487597) is 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(Cc1ccccc1)c2=O.
What is the InChIKey of 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is PYOJCXXVRTYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-16(2)12-8-9-17(10-11-6-4-3-5-7-11)14(18)13(12)15(19)20-16/h3-9H,10H2,1-2H3.
What are the key properties of 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 269.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 102487597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).