methyl 4H-furo[3,2-b]indole-2-carboxylate

C12H9NO3 — CID 12521830

IUPACmethyl 4H-furo[3,2-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c3ccccc3c2o1
InChIInChI=1S/C12H9NO3/c1-15-12(14)10-6-9-11(16-10)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3
InChIKeyJUACTQRSNRGGON-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.70
Rot. Bonds1

About methyl 4H-furo[3,2-b]indole-2-carboxylate

methyl 4H-furo[3,2-b]indole-2-carboxylate (PubChem CID 12521830) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 4H-furo[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-furo[3,2-b]indole-2-carboxylate
PubChem CID12521830
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Namemethyl 4H-furo[3,2-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c3ccccc3c2o1
InChIInChI=1S/C12H9NO3/c1-15-12(14)10-6-9-11(16-10)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3
InChIKeyJUACTQRSNRGGON-UHFFFAOYSA-N
XLogP2.70
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4H-furo[3,2-b]indole-2-carboxylate?
The IUPAC name of methyl 4H-furo[3,2-b]indole-2-carboxylate (CID 12521830) is methyl 4H-furo[3,2-b]indole-2-carboxylate.
What is the SMILES notation for methyl 4H-furo[3,2-b]indole-2-carboxylate?
The canonical SMILES for methyl 4H-furo[3,2-b]indole-2-carboxylate is COC(=O)c1cc2[nH]c3ccccc3c2o1.
What is the InChIKey of methyl 4H-furo[3,2-b]indole-2-carboxylate?
The InChIKey is JUACTQRSNRGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-15-12(14)10-6-9-11(16-10)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3.
What are the key properties of methyl 4H-furo[3,2-b]indole-2-carboxylate?
methyl 4H-furo[3,2-b]indole-2-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-furo[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 12521830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).