(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile

C15H10N2 — CID 70093572

IUPAC(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile
SMILESN#C/C=C1/Nc2ccccc2-c2ccccc21
InChIInChI=1S/C15H10N2/c16-10-9-15-13-6-2-1-5-11(13)12-7-3-4-8-14(12)17-15/h1-9,17H/b15-9+
InChIKeyYDFXNEYAEZIOEZ-OQLLNIDSSA-N
MW218.26 g/mol
LogP3.64
Rot. Bonds

About (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile

(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile (PubChem CID 70093572) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile
PubChem CID70093572
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile
SMILESN#C/C=C1/Nc2ccccc2-c2ccccc21
InChIInChI=1S/C15H10N2/c16-10-9-15-13-6-2-1-5-11(13)12-7-3-4-8-14(12)17-15/h1-9,17H/b15-9+
InChIKeyYDFXNEYAEZIOEZ-OQLLNIDSSA-N
XLogP3.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile?
The IUPAC name of (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile (CID 70093572) is (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile?
The canonical SMILES for (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile is N#C/C=C1/Nc2ccccc2-c2ccccc21.
What is the InChIKey of (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile?
The InChIKey is YDFXNEYAEZIOEZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H10N2/c16-10-9-15-13-6-2-1-5-11(13)12-7-3-4-8-14(12)17-15/h1-9,17H/b15-9+.
What are the key properties of (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile?
(2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5H-phenanthridin-6-ylidene)acetonitrile is sourced from PubChem (CID 70093572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).