2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile

C14H16N2O — CID 43804564

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C14H16N2O/c15-10-13(16-6-1-2-7-16)11-3-4-14-12(9-11)5-8-17-14/h3-4,9,13H,1-2,5-8H2
InChIKeyTUOPOYOZAGVART-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.28
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile (PubChem CID 43804564) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile
PubChem CID43804564
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C14H16N2O/c15-10-13(16-6-1-2-7-16)11-3-4-14-12(9-11)5-8-17-14/h3-4,9,13H,1-2,5-8H2
InChIKeyTUOPOYOZAGVART-UHFFFAOYSA-N
XLogP2.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
CID 43804562
3-(2,3-dihydro-1-benzofuran-5-yl)-3-hydroxy-2-methylpropanenitrile
CID 79131894
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone
CID 116851344
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylanilino)acetonitrile
CID 60986622

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile (CID 43804564) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile is N#CC(c1ccc2c(c1)CCO2)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The InChIKey is TUOPOYOZAGVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-13(16-6-1-2-7-16)11-3-4-14-12(9-11)5-8-17-14/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile has a molecular weight of 228.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile is sourced from PubChem (CID 43804564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).