2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile

C10H9NO — CID 11715216

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile
SMILESN#CCC1COc2ccccc21
InChIInChI=1S/C10H9NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8H,5,7H2
InChIKeyZKQIFIPFFDCXJD-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.08
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile

2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile (PubChem CID 11715216) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile
PubChem CID11715216
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile
SMILESN#CCC1COc2ccccc21
InChIInChI=1S/C10H9NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8H,5,7H2
InChIKeyZKQIFIPFFDCXJD-UHFFFAOYSA-N
XLogP2.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile (CID 11715216) is 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile is N#CCC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile?
The InChIKey is ZKQIFIPFFDCXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8H,5,7H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile?
2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile is sourced from PubChem (CID 11715216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).