5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C17H16ClNO3 — CID 70683879

IUPAC5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccccc1Cl)c2=O
InChIInChI=1S/C17H16ClNO3/c1-17(2)12-8-10-19(15(20)14(12)16(21)22-17)9-7-11-5-3-4-6-13(11)18/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQHTGGUGWFDYEQO-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.15
Rot. Bonds3

About 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70683879) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70683879
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccccc1Cl)c2=O
InChIInChI=1S/C17H16ClNO3/c1-17(2)12-8-10-19(15(20)14(12)16(21)22-17)9-7-11-5-3-4-6-13(11)18/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQHTGGUGWFDYEQO-UHFFFAOYSA-N
XLogP3.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70683879) is 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(CCc1ccccc1Cl)c2=O.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is QHTGGUGWFDYEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-17(2)12-8-10-19(15(20)14(12)16(21)22-17)9-7-11-5-3-4-6-13(11)18/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 317.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70683879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).