3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile

C12H13NO2 — CID 84777196

IUPAC3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile
SMILESCOc1ccc(CCC#N)c2c1OCC2
InChIInChI=1S/C12H13NO2/c1-14-11-5-4-9(3-2-7-13)10-6-8-15-12(10)11/h4-5H,2-3,6,8H2,1H3
InChIKeyYULVOFOFNAZIPT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.09
Rot. Bonds3

About 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile

3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile (PubChem CID 84777196) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile
PubChem CID84777196
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile
SMILESCOc1ccc(CCC#N)c2c1OCC2
InChIInChI=1S/C12H13NO2/c1-14-11-5-4-9(3-2-7-13)10-6-8-15-12(10)11/h4-5H,2-3,6,8H2,1H3
InChIKeyYULVOFOFNAZIPT-UHFFFAOYSA-N
XLogP2.09
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile?
The IUPAC name of 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile (CID 84777196) is 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile.
What is the SMILES notation for 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile?
The canonical SMILES for 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile is COc1ccc(CCC#N)c2c1OCC2.
What is the InChIKey of 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile?
The InChIKey is YULVOFOFNAZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-5-4-9(3-2-7-13)10-6-8-15-12(10)11/h4-5H,2-3,6,8H2,1H3.
What are the key properties of 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile?
3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile has a molecular weight of 203.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile is sourced from PubChem (CID 84777196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).