5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

C19H19NO3 — CID 155384857

IUPAC5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C19H19NO3/c1-19(11-9-13-5-3-2-4-6-13)15-10-12-20(14-7-8-14)17(21)16(15)18(22)23-19/h2-6,10,12,14H,7-9,11H2,1H3
InChIKeyKASBIZCUMBURHQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.20
Rot. Bonds4

About 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 155384857) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID155384857
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C19H19NO3/c1-19(11-9-13-5-3-2-4-6-13)15-10-12-20(14-7-8-14)17(21)16(15)18(22)23-19/h2-6,10,12,14H,7-9,11H2,1H3
InChIKeyKASBIZCUMBURHQ-UHFFFAOYSA-N
XLogP3.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.20
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-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (CID 155384857) is 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is CC1(CCc2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is KASBIZCUMBURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(11-9-13-5-3-2-4-6-13)15-10-12-20(14-7-8-14)17(21)16(15)18(22)23-19/h2-6,10,12,14H,7-9,11H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 309.36 g/mol, XLogP of 3.20, 4 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-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).