2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile

C10H9NO — CID 10986528

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
SMILESN#CCc1ccc2c(c1)CCO2
InChIInChI=1S/C10H9NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-4,6H2
InChIKeyXMZGPMWFOOVMGC-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.69
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile

2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile (PubChem CID 10986528) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
PubChem CID10986528
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
SMILESN#CCc1ccc2c(c1)CCO2
InChIInChI=1S/C10H9NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-4,6H2
InChIKeyXMZGPMWFOOVMGC-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile (CID 10986528) is 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile is N#CCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The InChIKey is XMZGPMWFOOVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-4,6H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.69, 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-5-yl)acetonitrile is sourced from PubChem (CID 10986528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).