N-undeca-1,4,7-trienyliminonitrous amide

C11H17N3O — CID 90698164

IUPACN-undeca-1,4,7-trienyliminonitrous amide
SMILESCCCC=CCC=CCC=C/N=N/N=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-8,10-11H,2-3,6,9H2,1H3/b5-4?,8-7?,11-10?,13-12+
InChIKeyMXNLRTNAAYWENH-MNRZYWPJSA-N
MW207.28 g/mol
LogP4.33
Rot. Bonds8

About N-undeca-1,4,7-trienyliminonitrous amide

N-undeca-1,4,7-trienyliminonitrous amide (PubChem CID 90698164) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-undeca-1,4,7-trienyliminonitrous amide.

Molecular Properties

Compound NameN-undeca-1,4,7-trienyliminonitrous amide
PubChem CID90698164
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-undeca-1,4,7-trienyliminonitrous amide
SMILESCCCC=CCC=CCC=C/N=N/N=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-8,10-11H,2-3,6,9H2,1H3/b5-4?,8-7?,11-10?,13-12+
InChIKeyMXNLRTNAAYWENH-MNRZYWPJSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-6,6-dimethylundeca-1,4,7-trienyl]iminonitrous amide
CID 123784913
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(E)-1-nitrosopent-1-ene
CID 148875645
(2E,5E)-nona-2,5-dien-1-ol
CID 12773963
1-iododeca-3,6-diene
CID 71329252
(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
CID 102425049
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180

Frequently Asked Questions

What is the IUPAC name of N-undeca-1,4,7-trienyliminonitrous amide?
The IUPAC name of N-undeca-1,4,7-trienyliminonitrous amide (CID 90698164) is N-undeca-1,4,7-trienyliminonitrous amide.
What is the SMILES notation for N-undeca-1,4,7-trienyliminonitrous amide?
The canonical SMILES for N-undeca-1,4,7-trienyliminonitrous amide is CCCC=CCC=CCC=C/N=N/N=O.
What is the InChIKey of N-undeca-1,4,7-trienyliminonitrous amide?
The InChIKey is MXNLRTNAAYWENH-MNRZYWPJSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-8,10-11H,2-3,6,9H2,1H3/b5-4?,8-7?,11-10?,13-12+.
What are the key properties of N-undeca-1,4,7-trienyliminonitrous amide?
N-undeca-1,4,7-trienyliminonitrous amide has a molecular weight of 207.28 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undeca-1,4,7-trienyliminonitrous amide is sourced from PubChem (CID 90698164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).