2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile

C16H10N2O2 — CID 2768541

IUPAC2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1oc(O)c2ccccc12
InChIInChI=1S/C16H10N2O2/c17-9-11-5-1-4-8-14(11)18-10-15-12-6-2-3-7-13(12)16(19)20-15/h1-8,10,19H/b18-10+
InChIKeyBYPSJGDTHKVGFQ-VCHYOVAHSA-N
MW262.27 g/mol
LogP3.76
Rot. Bonds2

About 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile

2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile (PubChem CID 2768541) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile
PubChem CID2768541
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1oc(O)c2ccccc12
InChIInChI=1S/C16H10N2O2/c17-9-11-5-1-4-8-14(11)18-10-15-12-6-2-3-7-13(12)16(19)20-15/h1-8,10,19H/b18-10+
InChIKeyBYPSJGDTHKVGFQ-VCHYOVAHSA-N
XLogP3.76
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile?
The IUPAC name of 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile (CID 2768541) is 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile.
What is the SMILES notation for 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile?
The canonical SMILES for 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile is N#Cc1ccccc1/N=C/c1oc(O)c2ccccc12.
What is the InChIKey of 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile?
The InChIKey is BYPSJGDTHKVGFQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-9-11-5-1-4-8-14(11)18-10-15-12-6-2-3-7-13(12)16(19)20-15/h1-8,10,19H/b18-10+.
What are the key properties of 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile?
2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile has a molecular weight of 262.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile is sourced from PubChem (CID 2768541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).