5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione

C21H23NO3 — CID 155384869

IUPAC5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C21H23NO3/c1-21(13-6-5-9-15-7-3-2-4-8-15)17-12-14-22(16-10-11-16)19(23)18(17)20(24)25-21/h2-4,7-8,12,14,16H,5-6,9-11,13H2,1H3
InChIKeyXXGAVXQPCRBHLJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.98
Rot. Bonds6

About 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione

5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 155384869) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID155384869
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C21H23NO3/c1-21(13-6-5-9-15-7-3-2-4-8-15)17-12-14-22(16-10-11-16)19(23)18(17)20(24)25-21/h2-4,7-8,12,14,16H,5-6,9-11,13H2,1H3
InChIKeyXXGAVXQPCRBHLJ-UHFFFAOYSA-N
XLogP3.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione (CID 155384869) is 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione is CC1(CCCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is XXGAVXQPCRBHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(13-6-5-9-15-7-3-2-4-8-15)17-12-14-22(16-10-11-16)19(23)18(17)20(24)25-21/h2-4,7-8,12,14,16H,5-6,9-11,13H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 337.42 g/mol, XLogP of 3.98, 6 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-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).