methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate

C14H11NO3 — CID 687116

IUPACmethyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1-n1cccc1
InChIInChI=1S/C14H11NO3/c1-17-14(16)13-12(15-8-4-5-9-15)10-6-2-3-7-11(10)18-13/h2-9H,1H3
InChIKeyASMBCBYDOVFEBD-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.01
Rot. Bonds2

About methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate

methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate (PubChem CID 687116) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate
PubChem CID687116
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namemethyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1-n1cccc1
InChIInChI=1S/C14H11NO3/c1-17-14(16)13-12(15-8-4-5-9-15)10-6-2-3-7-11(10)18-13/h2-9H,1H3
InChIKeyASMBCBYDOVFEBD-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 660489
CID 660489
CID 3160426
CID 3160426
CID 5741027
CID 5741027
CID 653443
CID 653443
CID 614848
CID 614848
CID 646103
CID 646103
CID 653266
CID 653266
CID 2532000
CID 2532000
CID 52941881
CID 52941881
CID 1480739
CID 1480739
CID 1480743
CID 1480743
CID 707278
CID 707278

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate (CID 687116) is methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate is COC(=O)c1oc2ccccc2c1-n1cccc1.
What is the InChIKey of methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate?
The InChIKey is ASMBCBYDOVFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-17-14(16)13-12(15-8-4-5-9-15)10-6-2-3-7-11(10)18-13/h2-9H,1H3.
What are the key properties of methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate?
methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 687116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).