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

C18H17NO3 — CID 155384864

IUPAC1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(Cc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C18H17NO3/c1-18(11-12-5-3-2-4-6-12)14-9-10-19(13-7-8-13)16(20)15(14)17(21)22-18/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyHPKPYRNUAAOBPJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.81
Rot. Bonds3

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

1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 155384864) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione
PubChem CID155384864
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(Cc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C18H17NO3/c1-18(11-12-5-3-2-4-6-12)14-9-10-19(13-7-8-13)16(20)15(14)17(21)22-18/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyHPKPYRNUAAOBPJ-UHFFFAOYSA-N
XLogP2.81
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione (CID 155384864) is 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione is CC1(Cc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is HPKPYRNUAAOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(11-12-5-3-2-4-6-12)14-9-10-19(13-7-8-13)16(20)15(14)17(21)22-18/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione?
1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 295.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).