1,3-dihydro-2-benzofuran-1-carbonitrile

C9H7NO — CID 23508755

IUPAC1,3-dihydro-2-benzofuran-1-carbonitrile
SMILESN#CC1OCc2ccccc21
InChIInChI=1S/C9H7NO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,6H2
InChIKeyDIJQGDNXYPSNSA-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.78
Rot. Bonds

About 1,3-dihydro-2-benzofuran-1-carbonitrile

1,3-dihydro-2-benzofuran-1-carbonitrile (PubChem CID 23508755) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-1-carbonitrile.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-1-carbonitrile
PubChem CID23508755
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name1,3-dihydro-2-benzofuran-1-carbonitrile
SMILESN#CC1OCc2ccccc21
InChIInChI=1S/C9H7NO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,6H2
InChIKeyDIJQGDNXYPSNSA-UHFFFAOYSA-N
XLogP1.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydro-2-benzofuran-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-1-carbonitrile?
The IUPAC name of 1,3-dihydro-2-benzofuran-1-carbonitrile (CID 23508755) is 1,3-dihydro-2-benzofuran-1-carbonitrile.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-1-carbonitrile?
The canonical SMILES for 1,3-dihydro-2-benzofuran-1-carbonitrile is N#CC1OCc2ccccc21.
What is the InChIKey of 1,3-dihydro-2-benzofuran-1-carbonitrile?
The InChIKey is DIJQGDNXYPSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,6H2.
What are the key properties of 1,3-dihydro-2-benzofuran-1-carbonitrile?
1,3-dihydro-2-benzofuran-1-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-1-carbonitrile is sourced from PubChem (CID 23508755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).