4-cyanoundecanamide

C12H22N2O — CID 71433018

IUPAC4-cyanoundecanamide
SMILESCCCCCCCC(C#N)CCC(N)=O
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-11(10-13)8-9-12(14)15/h11H,2-9H2,1H3,(H2,14,15)
InChIKeyLGBARCSELMHUFM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.75
Rot. Bonds9

About 4-cyanoundecanamide

4-cyanoundecanamide (PubChem CID 71433018) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-cyanoundecanamide.

Molecular Properties

Compound Name4-cyanoundecanamide
PubChem CID71433018
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-cyanoundecanamide
SMILESCCCCCCCC(C#N)CCC(N)=O
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-11(10-13)8-9-12(14)15/h11H,2-9H2,1H3,(H2,14,15)
InChIKeyLGBARCSELMHUFM-UHFFFAOYSA-N
XLogP2.75
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.75
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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Related Compounds

2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
4-hexyldecanamide
CID 129239397
2-propylhexadecanenitrile
CID 54538320
2-cyanononanamide
CID 91478546
10-cyano-N-[6-(10-cyanooctadecanoylamino)hexyl]octadecanamide
CID 87578071
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
5-hydroxyoctadecanamide
CID 23176537
2-(3-amino-3-oxopropyl)heptadecanoic acid
CID 174561559
2-(hydroxymethyl)undecanenitrile
CID 63215515

Frequently Asked Questions

What is the IUPAC name of 4-cyanoundecanamide?
The IUPAC name of 4-cyanoundecanamide (CID 71433018) is 4-cyanoundecanamide.
What is the SMILES notation for 4-cyanoundecanamide?
The canonical SMILES for 4-cyanoundecanamide is CCCCCCCC(C#N)CCC(N)=O.
What is the InChIKey of 4-cyanoundecanamide?
The InChIKey is LGBARCSELMHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-6-7-11(10-13)8-9-12(14)15/h11H,2-9H2,1H3,(H2,14,15).
What are the key properties of 4-cyanoundecanamide?
4-cyanoundecanamide has a molecular weight of 210.32 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanoundecanamide is sourced from PubChem (CID 71433018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).