N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide

C11H19N3O — CID 6442098

IUPACN-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide
SMILESCCCCCC/C=C/C=C/C=N\NN=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-11H,2-6H2,1H3,(H,13,15)/b8-7+,10-9+,12-11-
InChIKeyZEPDNBQRELJMRH-CPIUXLSQSA-N
MW209.29 g/mol
LogP3.33
Rot. Bonds9

About N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide

N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide (PubChem CID 6442098) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide.

Molecular Properties

Compound NameN-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide
PubChem CID6442098
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide
SMILESCCCCCC/C=C/C=C/C=N\NN=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-11H,2-6H2,1H3,(H,13,15)/b8-7+,10-9+,12-11-
InChIKeyZEPDNBQRELJMRH-CPIUXLSQSA-N
XLogP3.33
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide?
The IUPAC name of N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide (CID 6442098) is N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide.
What is the SMILES notation for N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide?
The canonical SMILES for N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide is CCCCCC/C=C/C=C/C=N\NN=O.
What is the InChIKey of N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide?
The InChIKey is ZEPDNBQRELJMRH-CPIUXLSQSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-11H,2-6H2,1H3,(H,13,15)/b8-7+,10-9+,12-11-.
What are the key properties of N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide?
N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide has a molecular weight of 209.29 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E,4E)-undeca-2,4-dienylidene]amino]nitrous amide is sourced from PubChem (CID 6442098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).