(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate

C14H9NO4S — CID 10446752

IUPAC(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H9NO4S/c16-12(7-9-5-6-20-8-9)19-15-13(17)10-3-1-2-4-11(10)14(15)18/h1-6,8H,7H2
InChIKeyAKVMELQJKYJBQM-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.05
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate

(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate (PubChem CID 10446752) has the molecular formula C14H9NO4S and a molecular weight of 287.30 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate
PubChem CID10446752
Molecular FormulaC14H9NO4S
Molecular Weight287.30 g/mol
Exact Mass287.03
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H9NO4S/c16-12(7-9-5-6-20-8-9)19-15-13(17)10-3-1-2-4-11(10)14(15)18/h1-6,8H,7H2
InChIKeyAKVMELQJKYJBQM-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 778779
CID 778779
CID 730698
CID 730698
CID 895701
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CID 53392514
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CID 102533875
CID 102533875
CID 726978
CID 726978
CID 21784644
CID 21784644
CID 810789
CID 810789
CID 3949218
CID 3949218
CID 135076902
CID 135076902
CID 3354154
CID 3354154
CID 10706403
CID 10706403

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate (CID 10446752) is (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate is O=C(Cc1ccsc1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate?
The InChIKey is AKVMELQJKYJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4S/c16-12(7-9-5-6-20-8-9)19-15-13(17)10-3-1-2-4-11(10)14(15)18/h1-6,8H,7H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate?
(1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate has a molecular weight of 287.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-thiophen-3-ylacetate is sourced from PubChem (CID 10446752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).