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

C17H17NO3 — CID 70694388

IUPAC1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccccc1)c2=O
InChIInChI=1S/C17H17NO3/c1-17(2)13-9-11-18(15(19)14(13)16(20)21-17)10-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3
InChIKeyKWANEASLOCBCHT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds3

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

1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 70694388) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID70694388
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccccc1)c2=O
InChIInChI=1S/C17H17NO3/c1-17(2)13-9-11-18(15(19)14(13)16(20)21-17)10-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3
InChIKeyKWANEASLOCBCHT-UHFFFAOYSA-N
XLogP2.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (CID 70694388) is 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(CCc1ccccc1)c2=O.
What is the InChIKey of 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is KWANEASLOCBCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2)13-9-11-18(15(19)14(13)16(20)21-17)10-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 283.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70694388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).