11-cyanoundecanamide

C12H22N2O — CID 21103218

IUPAC11-cyanoundecanamide
SMILESN#CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H22N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H2,14,15)
InChIKeyFNZWAVBPICULFW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.90
Rot. Bonds10

About 11-cyanoundecanamide

11-cyanoundecanamide (PubChem CID 21103218) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 11-cyanoundecanamide.

Molecular Properties

Compound Name11-cyanoundecanamide
PubChem CID21103218
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name11-cyanoundecanamide
SMILESN#CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H22N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H2,14,15)
InChIKeyFNZWAVBPICULFW-UHFFFAOYSA-N
XLogP2.90
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-cyanoundecanamide?
The IUPAC name of 11-cyanoundecanamide (CID 21103218) is 11-cyanoundecanamide.
What is the SMILES notation for 11-cyanoundecanamide?
The canonical SMILES for 11-cyanoundecanamide is N#CCCCCCCCCCCC(N)=O.
What is the InChIKey of 11-cyanoundecanamide?
The InChIKey is FNZWAVBPICULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H2,14,15).
What are the key properties of 11-cyanoundecanamide?
11-cyanoundecanamide has a molecular weight of 210.32 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyanoundecanamide is sourced from PubChem (CID 21103218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).