5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione

C12H11ClN2O4 — CID 177337012

IUPAC5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione
SMILESCOc1c(Cl)cc2c(c1C1OC(=O)NC1=O)NCC2
InChIInChI=1S/C12H11ClN2O4/c1-18-9-6(13)4-5-2-3-14-8(5)7(9)10-11(16)15-12(17)19-10/h4,10,14H,2-3H2,1H3,(H,15,16,17)
InChIKeyUCVWVFBFFFGIEG-UHFFFAOYSA-N
MW282.68 g/mol
LogP1.62
Rot. Bonds2

About 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione

5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 177337012) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione
PubChem CID177337012
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione
SMILESCOc1c(Cl)cc2c(c1C1OC(=O)NC1=O)NCC2
InChIInChI=1S/C12H11ClN2O4/c1-18-9-6(13)4-5-2-3-14-8(5)7(9)10-11(16)15-12(17)19-10/h4,10,14H,2-3H2,1H3,(H,15,16,17)
InChIKeyUCVWVFBFFFGIEG-UHFFFAOYSA-N
XLogP1.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione (CID 177337012) is 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione is COc1c(Cl)cc2c(c1C1OC(=O)NC1=O)NCC2.
What is the InChIKey of 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is UCVWVFBFFFGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-18-9-6(13)4-5-2-3-14-8(5)7(9)10-11(16)15-12(17)19-10/h4,10,14H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione?
5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 282.68 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-methoxy-2,3-dihydro-1H-indol-7-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 177337012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).