2-(7-methoxy-1-benzofuran-3-yl)acetonitrile

C11H9NO2 — CID 15618729

IUPAC2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
SMILESCOc1cccc2c(CC#N)coc12
InChIInChI=1S/C11H9NO2/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7H,5H2,1H3
InChIKeyHEGOPTQWHGBOHJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.51
Rot. Bonds2

About 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile

2-(7-methoxy-1-benzofuran-3-yl)acetonitrile (PubChem CID 15618729) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
PubChem CID15618729
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
SMILESCOc1cccc2c(CC#N)coc12
InChIInChI=1S/C11H9NO2/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7H,5H2,1H3
InChIKeyHEGOPTQWHGBOHJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile (CID 15618729) is 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile is COc1cccc2c(CC#N)coc12.
What is the InChIKey of 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile?
The InChIKey is HEGOPTQWHGBOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7H,5H2,1H3.
What are the key properties of 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile?
2-(7-methoxy-1-benzofuran-3-yl)acetonitrile has a molecular weight of 187.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-benzofuran-3-yl)acetonitrile is sourced from PubChem (CID 15618729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).