azane;2-cyanoundecanoic acid

C12H24N2O2 — CID 174447184

IUPACazane;2-cyanoundecanoic acid
SMILESCCCCCCCCCC(C#N)C(=O)O.N
InChIInChI=1S/C12H21NO2.H3N/c1-2-3-4-5-6-7-8-9-11(10-13)12(14)15;/h11H,2-9H2,1H3,(H,14,15);1H3
InChIKeyJYAYIEDNIYIGBW-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.51
Rot. Bonds9

About azane;2-cyanoundecanoic acid

azane;2-cyanoundecanoic acid (PubChem CID 174447184) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is azane;2-cyanoundecanoic acid.

Molecular Properties

Compound Nameazane;2-cyanoundecanoic acid
PubChem CID174447184
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameazane;2-cyanoundecanoic acid
SMILESCCCCCCCCCC(C#N)C(=O)O.N
InChIInChI=1S/C12H21NO2.H3N/c1-2-3-4-5-6-7-8-9-11(10-13)12(14)15;/h11H,2-9H2,1H3,(H,14,15);1H3
InChIKeyJYAYIEDNIYIGBW-UHFFFAOYSA-N
XLogP3.51
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyanononadecanoic acid
CID 87316687
2-cyanoheptadecanoic acid
CID 87316675
2,9-dicyanodecanedioic acid
CID 88775041
2-cyanohenicosanethioic S-acid
CID 123529420
2-cyanononanamide
CID 91478546
prop-2-enyl 2-cyanodecanoate
CID 14468567
2-undecyltridecanoic acid;hydrate
CID 162315261
2-icosylpropanedioic acid
CID 11582738
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-cyanatooctanoic acid
CID 146513999
2-pentyldodecanoic acid
CID 18521426

Frequently Asked Questions

What is the IUPAC name of azane;2-cyanoundecanoic acid?
The IUPAC name of azane;2-cyanoundecanoic acid (CID 174447184) is azane;2-cyanoundecanoic acid.
What is the SMILES notation for azane;2-cyanoundecanoic acid?
The canonical SMILES for azane;2-cyanoundecanoic acid is CCCCCCCCCC(C#N)C(=O)O.N.
What is the InChIKey of azane;2-cyanoundecanoic acid?
The InChIKey is JYAYIEDNIYIGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.H3N/c1-2-3-4-5-6-7-8-9-11(10-13)12(14)15;/h11H,2-9H2,1H3,(H,14,15);1H3.
What are the key properties of azane;2-cyanoundecanoic acid?
azane;2-cyanoundecanoic acid has a molecular weight of 228.34 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-cyanoundecanoic acid is sourced from PubChem (CID 174447184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).