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

C20H21NO3 — CID 155384860

IUPAC5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C20H21NO3/c1-20(12-5-8-14-6-3-2-4-7-14)16-11-13-21(15-9-10-15)18(22)17(16)19(23)24-20/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3
InChIKeyHXRVXVIXRRLAKK-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.59
Rot. Bonds5

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

5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 155384860) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID155384860
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C20H21NO3/c1-20(12-5-8-14-6-3-2-4-7-14)16-11-13-21(15-9-10-15)18(22)17(16)19(23)24-20/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3
InChIKeyHXRVXVIXRRLAKK-UHFFFAOYSA-N
XLogP3.59
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.59
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-phenylpropyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione (CID 155384860) is 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione is CC1(CCCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is HXRVXVIXRRLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(12-5-8-14-6-3-2-4-7-14)16-11-13-21(15-9-10-15)18(22)17(16)19(23)24-20/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 323.39 g/mol, XLogP of 3.59, 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-phenylpropyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).