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

C11H11NO — CID 79229340

IUPAC3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
SMILESN#CCCC1COc2ccccc21
InChIInChI=1S/C11H11NO/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,9H,3-4,8H2
InChIKeyMUNKBQWEIFNYQW-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.47
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile (PubChem CID 79229340) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
PubChem CID79229340
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
SMILESN#CCCC1COc2ccccc21
InChIInChI=1S/C11H11NO/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,9H,3-4,8H2
InChIKeyMUNKBQWEIFNYQW-UHFFFAOYSA-N
XLogP2.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propanenitrile
CID 79226206
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(ethyl)amino]acetonitrile
CID 79226604
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
CID 79229342
2-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetonitrile
CID 102169763
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile (CID 79229340) is 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile is N#CCCC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile?
The InChIKey is MUNKBQWEIFNYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,9H,3-4,8H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile?
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile has a molecular weight of 173.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile is sourced from PubChem (CID 79229340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).