N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide

C11H17N3O — CID 123622937

IUPACN-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide
SMILESCCCCC=C/C=C/C=C/C/N=N/N=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11H2,1H3/b6-5?,8-7+,10-9+,13-12+
InChIKeyKGSXWVRQBYEFNK-WEXSVEBESA-N
MW207.28 g/mol
LogP3.98
Rot. Bonds8

About N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide

N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide (PubChem CID 123622937) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide.

Molecular Properties

Compound NameN-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide
PubChem CID123622937
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide
SMILESCCCCC=C/C=C/C=C/C/N=N/N=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11H2,1H3/b6-5?,8-7+,10-9+,13-12+
InChIKeyKGSXWVRQBYEFNK-WEXSVEBESA-N
XLogP3.98
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide?
The IUPAC name of N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide (CID 123622937) is N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide.
What is the SMILES notation for N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide?
The canonical SMILES for N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide is CCCCC=C/C=C/C=C/C/N=N/N=O.
What is the InChIKey of N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide?
The InChIKey is KGSXWVRQBYEFNK-WEXSVEBESA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11H2,1H3/b6-5?,8-7+,10-9+,13-12+.
What are the key properties of N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide?
N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide has a molecular weight of 207.28 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide is sourced from PubChem (CID 123622937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).