2-piperidin-2-ylidenepropanedinitrile

C8H9N3 — CID 12925330

IUPAC2-piperidin-2-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1CCCCN1
InChIInChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h11H,1-4H2
InChIKeySFAFIKXLBMHPCT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.06
Rot. Bonds

About 2-piperidin-2-ylidenepropanedinitrile

2-piperidin-2-ylidenepropanedinitrile (PubChem CID 12925330) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-piperidin-2-ylidenepropanedinitrile.

Molecular Properties

Compound Name2-piperidin-2-ylidenepropanedinitrile
PubChem CID12925330
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-piperidin-2-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1CCCCN1
InChIInChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h11H,1-4H2
InChIKeySFAFIKXLBMHPCT-UHFFFAOYSA-N
XLogP1.06
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.06
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-piperidin-2-ylidenepropanedinitrile?
The IUPAC name of 2-piperidin-2-ylidenepropanedinitrile (CID 12925330) is 2-piperidin-2-ylidenepropanedinitrile.
What is the SMILES notation for 2-piperidin-2-ylidenepropanedinitrile?
The canonical SMILES for 2-piperidin-2-ylidenepropanedinitrile is N#CC(C#N)=C1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylidenepropanedinitrile?
The InChIKey is SFAFIKXLBMHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h11H,1-4H2.
What are the key properties of 2-piperidin-2-ylidenepropanedinitrile?
2-piperidin-2-ylidenepropanedinitrile has a molecular weight of 147.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylidenepropanedinitrile is sourced from PubChem (CID 12925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).