5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione

C12H12N2O4 — CID 70867551

IUPAC5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc2c(c1)NCC2C1OC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-17-6-2-3-7-8(5-13-9(7)4-6)10-11(15)14-12(16)18-10/h2-4,8,10,13H,5H2,1H3,(H,14,15,16)
InChIKeyHBHLLYLCPBXCDB-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.84
Rot. Bonds2

About 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione

5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 70867551) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
PubChem CID70867551
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc2c(c1)NCC2C1OC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-17-6-2-3-7-8(5-13-9(7)4-6)10-11(15)14-12(16)18-10/h2-4,8,10,13H,5H2,1H3,(H,14,15,16)
InChIKeyHBHLLYLCPBXCDB-UHFFFAOYSA-N
XLogP0.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (CID 70867551) is 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is COc1ccc2c(c1)NCC2C1OC(=O)NC1=O.
What is the InChIKey of 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is HBHLLYLCPBXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-6-2-3-7-8(5-13-9(7)4-6)10-11(15)14-12(16)18-10/h2-4,8,10,13H,5H2,1H3,(H,14,15,16).
What are the key properties of 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70867551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).