2-(azacyclotridec-2-ylidene)propanedinitrile

C15H23N3 — CID 601838

IUPAC2-(azacyclotridec-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CCCCCCCCCCCN1
InChIInChI=1S/C15H23N3/c16-12-14(13-17)15-10-8-6-4-2-1-3-5-7-9-11-18-15/h18H,1-11H2
InChIKeyGMBMAZNSIBIUKR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds

About 2-(azacyclotridec-2-ylidene)propanedinitrile

2-(azacyclotridec-2-ylidene)propanedinitrile (PubChem CID 601838) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(azacyclotridec-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(azacyclotridec-2-ylidene)propanedinitrile
PubChem CID601838
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(azacyclotridec-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CCCCCCCCCCCN1
InChIInChI=1S/C15H23N3/c16-12-14(13-17)15-10-8-6-4-2-1-3-5-7-9-11-18-15/h18H,1-11H2
InChIKeyGMBMAZNSIBIUKR-UHFFFAOYSA-N
XLogP3.79
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
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 2-(azacyclotridec-2-ylidene)propanedinitrile?
The IUPAC name of 2-(azacyclotridec-2-ylidene)propanedinitrile (CID 601838) is 2-(azacyclotridec-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(azacyclotridec-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(azacyclotridec-2-ylidene)propanedinitrile is N#CC(C#N)=C1CCCCCCCCCCCN1.
What is the InChIKey of 2-(azacyclotridec-2-ylidene)propanedinitrile?
The InChIKey is GMBMAZNSIBIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-12-14(13-17)15-10-8-6-4-2-1-3-5-7-9-11-18-15/h18H,1-11H2.
What are the key properties of 2-(azacyclotridec-2-ylidene)propanedinitrile?
2-(azacyclotridec-2-ylidene)propanedinitrile has a molecular weight of 245.37 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azacyclotridec-2-ylidene)propanedinitrile is sourced from PubChem (CID 601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).