methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate

C12H11NO2S — CID 22282669

IUPACmethyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1cc[nH]c1CC2
InChIInChI=1S/C12H11NO2S/c1-15-12(14)10-6-7-2-3-9-8(4-5-13-9)11(7)16-10/h4-6,13H,2-3H2,1H3
InChIKeyNQTVPBHJNXTSCN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.63
Rot. Bonds1

About methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate

methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate (PubChem CID 22282669) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate
PubChem CID22282669
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1cc[nH]c1CC2
InChIInChI=1S/C12H11NO2S/c1-15-12(14)10-6-7-2-3-9-8(4-5-13-9)11(7)16-10/h4-6,13H,2-3H2,1H3
InChIKeyNQTVPBHJNXTSCN-UHFFFAOYSA-N
XLogP2.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate?
The IUPAC name of methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate (CID 22282669) is methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate.
What is the SMILES notation for methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate?
The canonical SMILES for methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate is COC(=O)c1cc2c(s1)-c1cc[nH]c1CC2.
What is the InChIKey of methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate?
The InChIKey is NQTVPBHJNXTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-12(14)10-6-7-2-3-9-8(4-5-13-9)11(7)16-10/h4-6,13H,2-3H2,1H3.
What are the key properties of methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate?
methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydro-4H-thieno[2,3-e]indole-2-carboxylate is sourced from PubChem (CID 22282669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).