(Z)-11-cyanoundec-10-en-6-ynoic acid

C12H15NO2 — CID 10976610

IUPAC(Z)-11-cyanoundec-10-en-6-ynoic acid
SMILESN#C/C=C\CCC#CCCCCC(=O)O
InChIInChI=1S/C12H15NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9H,3-6,8,10H2,(H,14,15)/b9-7-
InChIKeyJEQPDGZZXGIIMY-CLFYSBASSA-N
MW205.26 g/mol
LogP2.49
Rot. Bonds6

About (Z)-11-cyanoundec-10-en-6-ynoic acid

(Z)-11-cyanoundec-10-en-6-ynoic acid (PubChem CID 10976610) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-11-cyanoundec-10-en-6-ynoic acid.

Molecular Properties

Compound Name(Z)-11-cyanoundec-10-en-6-ynoic acid
PubChem CID10976610
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-11-cyanoundec-10-en-6-ynoic acid
SMILESN#C/C=C\CCC#CCCCCC(=O)O
InChIInChI=1S/C12H15NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9H,3-6,8,10H2,(H,14,15)/b9-7-
InChIKeyJEQPDGZZXGIIMY-CLFYSBASSA-N
XLogP2.49
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracos-12-ynedioic acid
CID 14631215
(E)-11-oxoundec-2-en-6-ynenitrile
CID 102308525
8-cyanooct-5-enoic acid
CID 71348210
icosa-4,16-diynedioic acid
CID 121000180
heptacosa-10,12,17-triynedioic acid
CID 4107670
11-hydroxyundec-7-ynoic acid
CID 44576578
dodec-6-ynoic acid
CID 5312609
tricosa-10,12-diynedioic acid
CID 3516470
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
tridec-9-ynoic acid
CID 5312723
pentacos-6-ynoic acid
CID 71542375

Frequently Asked Questions

What is the IUPAC name of (Z)-11-cyanoundec-10-en-6-ynoic acid?
The IUPAC name of (Z)-11-cyanoundec-10-en-6-ynoic acid (CID 10976610) is (Z)-11-cyanoundec-10-en-6-ynoic acid.
What is the SMILES notation for (Z)-11-cyanoundec-10-en-6-ynoic acid?
The canonical SMILES for (Z)-11-cyanoundec-10-en-6-ynoic acid is N#C/C=C\CCC#CCCCCC(=O)O.
What is the InChIKey of (Z)-11-cyanoundec-10-en-6-ynoic acid?
The InChIKey is JEQPDGZZXGIIMY-CLFYSBASSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9H,3-6,8,10H2,(H,14,15)/b9-7-.
What are the key properties of (Z)-11-cyanoundec-10-en-6-ynoic acid?
(Z)-11-cyanoundec-10-en-6-ynoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-cyanoundec-10-en-6-ynoic acid is sourced from PubChem (CID 10976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).