(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile

C16H10N2O — CID 17464363

IUPAC(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cc2ccccc2o1)c1ccccn1
InChIInChI=1S/C16H10N2O/c17-11-13(15-6-3-4-8-18-15)10-14-9-12-5-1-2-7-16(12)19-14/h1-10H/b13-10+
InChIKeyKKBSBHGADXLNAU-JLHYYAGUSA-N
MW246.27 g/mol
LogP3.89
Rot. Bonds2

About (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 17464363) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID17464363
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cc2ccccc2o1)c1ccccn1
InChIInChI=1S/C16H10N2O/c17-11-13(15-6-3-4-8-18-15)10-14-9-12-5-1-2-7-16(12)19-14/h1-10H/b13-10+
InChIKeyKKBSBHGADXLNAU-JLHYYAGUSA-N
XLogP3.89
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile (CID 17464363) is (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1cc2ccccc2o1)c1ccccn1.
What is the InChIKey of (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is KKBSBHGADXLNAU-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H10N2O/c17-11-13(15-6-3-4-8-18-15)10-14-9-12-5-1-2-7-16(12)19-14/h1-10H/b13-10+.
What are the key properties of (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 246.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 17464363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).