N-(undeca-2,4,7-trienylideneamino)nitrous amide

C11H17N3O — CID 5542

IUPACN-(undeca-2,4,7-trienylideneamino)nitrous amide
SMILESCCCC=CCC=CC=CC=NNN=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)
InChIKeyNKTGCVUIESDXPU-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.10
Rot. Bonds8

About N-(undeca-2,4,7-trienylideneamino)nitrous amide

N-(undeca-2,4,7-trienylideneamino)nitrous amide (PubChem CID 5542) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(undeca-2,4,7-trienylideneamino)nitrous amide.

Molecular Properties

Compound NameN-(undeca-2,4,7-trienylideneamino)nitrous amide
PubChem CID5542
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(undeca-2,4,7-trienylideneamino)nitrous amide
SMILESCCCC=CCC=CC=CC=NNN=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)
InChIKeyNKTGCVUIESDXPU-UHFFFAOYSA-N
XLogP3.10
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(undeca-2,4,7-trienylideneamino)nitrous amide?
The IUPAC name of N-(undeca-2,4,7-trienylideneamino)nitrous amide (CID 5542) is N-(undeca-2,4,7-trienylideneamino)nitrous amide.
What is the SMILES notation for N-(undeca-2,4,7-trienylideneamino)nitrous amide?
The canonical SMILES for N-(undeca-2,4,7-trienylideneamino)nitrous amide is CCCC=CCC=CC=CC=NNN=O.
What is the InChIKey of N-(undeca-2,4,7-trienylideneamino)nitrous amide?
The InChIKey is NKTGCVUIESDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-(undeca-2,4,7-trienylideneamino)nitrous amide?
N-(undeca-2,4,7-trienylideneamino)nitrous amide has a molecular weight of 207.28 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(undeca-2,4,7-trienylideneamino)nitrous amide is sourced from PubChem (CID 5542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).