methyl 7-cyano-1-benzofuran-2-carboxylate

C11H7NO3 — CID 138668888

IUPACmethyl 7-cyano-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cccc(C#N)c2o1
InChIInChI=1S/C11H7NO3/c1-14-11(13)9-5-7-3-2-4-8(6-12)10(7)15-9/h2-5H,1H3
InChIKeyMTWILZLBMSAFIZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.09
Rot. Bonds1

About methyl 7-cyano-1-benzofuran-2-carboxylate

methyl 7-cyano-1-benzofuran-2-carboxylate (PubChem CID 138668888) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is methyl 7-cyano-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyano-1-benzofuran-2-carboxylate
PubChem CID138668888
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Namemethyl 7-cyano-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cccc(C#N)c2o1
InChIInChI=1S/C11H7NO3/c1-14-11(13)9-5-7-3-2-4-8(6-12)10(7)15-9/h2-5H,1H3
InChIKeyMTWILZLBMSAFIZ-UHFFFAOYSA-N
XLogP2.09
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate
CID 121302859
2-(2-cyanophenoxy)-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]acetamide
CID 9467525
methyl 2-bromo-6-cyanobenzoate
CID 91882284
methyl 3-cyano-2-fluorobenzoate
CID 91882344
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328
methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
CID 70227715
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
methyl 4-chloro-2-cyano-5-hydroxybenzoate
CID 130778065
3-cyano-2-methoxycarbonylbenzoic acid
CID 91882336
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
methyl 4-[(benzhydrylideneamino)-hydroxyamino]-5-cyanofuran-2-carboxylate
CID 87963732

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyano-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 7-cyano-1-benzofuran-2-carboxylate (CID 138668888) is methyl 7-cyano-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 7-cyano-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 7-cyano-1-benzofuran-2-carboxylate is COC(=O)c1cc2cccc(C#N)c2o1.
What is the InChIKey of methyl 7-cyano-1-benzofuran-2-carboxylate?
The InChIKey is MTWILZLBMSAFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-14-11(13)9-5-7-3-2-4-8(6-12)10(7)15-9/h2-5H,1H3.
What are the key properties of methyl 7-cyano-1-benzofuran-2-carboxylate?
methyl 7-cyano-1-benzofuran-2-carboxylate has a molecular weight of 201.18 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyano-1-benzofuran-2-carboxylate is sourced from PubChem (CID 138668888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).