1,3-dihydro-2-benzofuran-5-carbonitrile

C9H7NO — CID 11389458

IUPAC1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2
InChIInChI=1S/C9H7NO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,5-6H2
InChIKeyZLXJXAMSNFFEFG-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.59
Rot. Bonds

About 1,3-dihydro-2-benzofuran-5-carbonitrile

1,3-dihydro-2-benzofuran-5-carbonitrile (PubChem CID 11389458) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-carbonitrile
PubChem CID11389458
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2
InChIInChI=1S/C9H7NO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,5-6H2
InChIKeyZLXJXAMSNFFEFG-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methoxymethyl)benzonitrile
CID 13285141
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
4-(Oxiran-2-yl)benzonitrile
CID 40494
5-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 58200106
2-(Methoxymethyl)benzonitrile
CID 13743590
4-(Ethoxymethyl)benzonitrile
CID 24698684
1-(4-fluorophenyl)-1-(4-methylpentyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
CID 45263392
1,3,6,8-Tetrahydrofuro[3,4-e][2]benzofuran
CID 11084187
5-Propyl-1,3-dihydro-isobenzofuran
CID 12955167
5,6-Dimethyl-1,3-dihydro-2-benzofuran
CID 59964418
1,1-Bis(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CID 24208003
1-(4-fluorophenyl)-1-prop-2-enyl-3H-2-benzofuran-5-carbonitrile
CID 9965483

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-carbonitrile?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-carbonitrile (CID 11389458) is 1,3-dihydro-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-carbonitrile?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-carbonitrile?
The InChIKey is ZLXJXAMSNFFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,5-6H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-carbonitrile?
1,3-dihydro-2-benzofuran-5-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 1.59, 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-5-carbonitrile is sourced from PubChem (CID 11389458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).