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

C10H7NO — CID 2769401

IUPAC2-(1-benzofuran-3-yl)acetonitrile
SMILESN#CCc1coc2ccccc12
InChIInChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKeyBJAJKVZABJZXDC-UHFFFAOYSA-N
MW157.17 g/mol
LogP2.50
Rot. Bonds1

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

2-(1-benzofuran-3-yl)acetonitrile (PubChem CID 2769401) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)acetonitrile
PubChem CID2769401
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2-(1-benzofuran-3-yl)acetonitrile
SMILESN#CCc1coc2ccccc12
InChIInChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKeyBJAJKVZABJZXDC-UHFFFAOYSA-N
XLogP2.50
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzofuran
CID 9223
Dibenzofuran
CID 568
2-Benzofurancarboxaldehyde
CID 61341
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
Benzo[b]furan-2-boronic acid
CID 2776266
1-Benzofuran-5-carbaldehyde
CID 2773875
Benzofurans
CID 253613
2-Benzofurancarbonitrile
CID 38950
2-Phenyl-benzofuran
CID 3517936
4,7-Dimethylbenzofuran
CID 33109
2-Benzo[b]furan-3-ylethylamine
CID 12420812

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)acetonitrile?
The IUPAC name of 2-(1-benzofuran-3-yl)acetonitrile (CID 2769401) is 2-(1-benzofuran-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzofuran-3-yl)acetonitrile?
The canonical SMILES for 2-(1-benzofuran-3-yl)acetonitrile is N#CCc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)acetonitrile?
The InChIKey is BJAJKVZABJZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2.
What are the key properties of 2-(1-benzofuran-3-yl)acetonitrile?
2-(1-benzofuran-3-yl)acetonitrile has a molecular weight of 157.17 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)acetonitrile is sourced from PubChem (CID 2769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).