5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione

C17H15NO3 — CID 155384877

IUPAC5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(c2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C17H15NO3/c1-17(11-5-3-2-4-6-11)13-9-10-18(12-7-8-12)15(19)14(13)16(20)21-17/h2-6,9-10,12H,7-8H2,1H3
InChIKeyKDOLXTLKZVXWNF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.62
Rot. Bonds2

About 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione

5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 155384877) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
PubChem CID155384877
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(c2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C17H15NO3/c1-17(11-5-3-2-4-6-11)13-9-10-18(12-7-8-12)15(19)14(13)16(20)21-17/h2-6,9-10,12H,7-8H2,1H3
InChIKeyKDOLXTLKZVXWNF-UHFFFAOYSA-N
XLogP2.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602427
1,1-dimethyl-5-phenethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694388
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602491
1,5-Dimethyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602621
1-Cyclopropyl-2-oxo-5-[3-(propan-2-yloxymethyl)phenyl]pyridine-3-carboxylic acid
CID 132389614
5-Cyclopropyl-1-[2-(4-fluorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384863
5-Cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384881
[(2-Oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate
CID 58170276
N,N-dibutyl-5-oxo-2,3-diphenyl-2H-furan-4-carboxamide
CID 70977278
Benzyl 1-ethenyl-6-methyl-2-oxopyridine-3-carboxylate
CID 153552660
Benzyl 4-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolizine-3-carboxylate
CID 153552667
5-Cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 155384857

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione (CID 155384877) is 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione is CC1(c2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is KDOLXTLKZVXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17(11-5-3-2-4-6-11)13-9-10-18(12-7-8-12)15(19)14(13)16(20)21-17/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 281.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).