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

C21H23NO3 — CID 155384880

IUPAC5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC(CCC1(C)OC(=O)c2c1ccn(C1CC1)c2=O)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(15-6-4-3-5-7-15)10-12-21(2)17-11-13-22(16-8-9-16)19(23)18(17)20(24)25-21/h3-7,11,13-14,16H,8-10,12H2,1-2H3
InChIKeyAWCRZYQNOHWINZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.15
Rot. Bonds5

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

5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 155384880) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID155384880
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC(CCC1(C)OC(=O)c2c1ccn(C1CC1)c2=O)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(15-6-4-3-5-7-15)10-12-21(2)17-11-13-22(16-8-9-16)19(23)18(17)20(24)25-21/h3-7,11,13-14,16H,8-10,12H2,1-2H3
InChIKeyAWCRZYQNOHWINZ-UHFFFAOYSA-N
XLogP4.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione (CID 155384880) is 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione is CC(CCC1(C)OC(=O)c2c1ccn(C1CC1)c2=O)c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is AWCRZYQNOHWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(15-6-4-3-5-7-15)10-12-21(2)17-11-13-22(16-8-9-16)19(23)18(17)20(24)25-21/h3-7,11,13-14,16H,8-10,12H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 337.42 g/mol, XLogP of 4.15, 5 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-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).