2-(9H-fluoren-2-ylmethylidene)propanedinitrile

C17H10N2 — CID 134159255

IUPAC2-(9H-fluoren-2-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H10N2/c18-10-13(11-19)7-12-5-6-17-15(8-12)9-14-3-1-2-4-16(14)17/h1-8H,9H2
InChIKeyAUSUHVILGZILCG-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.69
Rot. Bonds1

About 2-(9H-fluoren-2-ylmethylidene)propanedinitrile

2-(9H-fluoren-2-ylmethylidene)propanedinitrile (PubChem CID 134159255) has the molecular formula C17H10N2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(9H-fluoren-2-ylmethylidene)propanedinitrile.

Molecular Properties

Compound Name2-(9H-fluoren-2-ylmethylidene)propanedinitrile
PubChem CID134159255
Molecular FormulaC17H10N2
Molecular Weight242.28 g/mol
Exact Mass242.08
IUPAC Name2-(9H-fluoren-2-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H10N2/c18-10-13(11-19)7-12-5-6-17-15(8-12)9-14-3-1-2-4-16(14)17/h1-8H,9H2
InChIKeyAUSUHVILGZILCG-UHFFFAOYSA-N
XLogP3.69
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-ylmethylidene)propanedinitrile?
The IUPAC name of 2-(9H-fluoren-2-ylmethylidene)propanedinitrile (CID 134159255) is 2-(9H-fluoren-2-ylmethylidene)propanedinitrile.
What is the SMILES notation for 2-(9H-fluoren-2-ylmethylidene)propanedinitrile?
The canonical SMILES for 2-(9H-fluoren-2-ylmethylidene)propanedinitrile is N#CC(C#N)=Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-ylmethylidene)propanedinitrile?
The InChIKey is AUSUHVILGZILCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2/c18-10-13(11-19)7-12-5-6-17-15(8-12)9-14-3-1-2-4-16(14)17/h1-8H,9H2.
What are the key properties of 2-(9H-fluoren-2-ylmethylidene)propanedinitrile?
2-(9H-fluoren-2-ylmethylidene)propanedinitrile has a molecular weight of 242.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-ylmethylidene)propanedinitrile is sourced from PubChem (CID 134159255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).