1-benzofuran-5-carbonitrile

C9H5NO — CID 2795184

IUPAC1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2occc2c1
InChIInChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKeySXFQAFFSEZRQCJ-UHFFFAOYSA-N
MW143.14 g/mol
LogP2.30
Rot. Bonds

About 1-benzofuran-5-carbonitrile

1-benzofuran-5-carbonitrile (PubChem CID 2795184) has the molecular formula C9H5NO and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1-benzofuran-5-carbonitrile
PubChem CID2795184
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Name1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2occc2c1
InChIInChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKeySXFQAFFSEZRQCJ-UHFFFAOYSA-N
XLogP2.30
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-carbonitrile?
The IUPAC name of 1-benzofuran-5-carbonitrile (CID 2795184) is 1-benzofuran-5-carbonitrile.
What is the SMILES notation for 1-benzofuran-5-carbonitrile?
The canonical SMILES for 1-benzofuran-5-carbonitrile is N#Cc1ccc2occc2c1.
What is the InChIKey of 1-benzofuran-5-carbonitrile?
The InChIKey is SXFQAFFSEZRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H.
What are the key properties of 1-benzofuran-5-carbonitrile?
1-benzofuran-5-carbonitrile has a molecular weight of 143.14 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-carbonitrile is sourced from PubChem (CID 2795184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).