N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide

C11H16FN3O — CID 123328714

IUPACN-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide
SMILESCCCC=CC(F)C=C/C=C/C/N=N/N=O
InChIInChI=1S/C11H16FN3O/c1-2-3-5-8-11(12)9-6-4-7-10-13-14-15-16/h4-9,11H,2-3,10H2,1H3/b7-4+,8-5?,9-6?,14-13+
InChIKeyPWUTYOLIDKYMDO-AEMNJHFLSA-N
MW225.27 g/mol
LogP3.93
Rot. Bonds8

About N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide

N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide (PubChem CID 123328714) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide.

Molecular Properties

Compound NameN-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide
PubChem CID123328714
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide
SMILESCCCC=CC(F)C=C/C=C/C/N=N/N=O
InChIInChI=1S/C11H16FN3O/c1-2-3-5-8-11(12)9-6-4-7-10-13-14-15-16/h4-9,11H,2-3,10H2,1H3/b7-4+,8-5?,9-6?,14-13+
InChIKeyPWUTYOLIDKYMDO-AEMNJHFLSA-N
XLogP3.93
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.93
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

(Z)-3-fluorooct-4-ene
CID 143337170
N-undeca-1,4,7-trienyliminonitrous amide
CID 90698164
3-ethyldeca-4,6-diene
CID 91239582
(E)-2,3-dimethyloct-4-ene
CID 173368392
(4Z,6E)-8-hydroperoxyundeca-4,6-diene
CID 11286867
(E)-1-nitrosopent-1-ene
CID 148875645
(E,2S)-2-methylhept-3-enal
CID 124565519
N-[(1E)-6,6-dimethylundeca-1,4,7-trienyl]iminonitrous amide
CID 123784913
(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine
CID 164587800
4-hydroxynon-5-en-2-one
CID 71379683
(4E)-octa-2,4-dienal
CID 175603405
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide?
The IUPAC name of N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide (CID 123328714) is N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide.
What is the SMILES notation for N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide?
The canonical SMILES for N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide is CCCC=CC(F)C=C/C=C/C/N=N/N=O.
What is the InChIKey of N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide?
The InChIKey is PWUTYOLIDKYMDO-AEMNJHFLSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-3-5-8-11(12)9-6-4-7-10-13-14-15-16/h4-9,11H,2-3,10H2,1H3/b7-4+,8-5?,9-6?,14-13+.
What are the key properties of N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide?
N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide has a molecular weight of 225.27 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide is sourced from PubChem (CID 123328714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).