N-benzylnona-2,6-dien-1-imine oxide

C16H21NO — CID 170783257

IUPACN-benzylnona-2,6-dien-1-imine oxide
SMILESCCC=CCCC=CC=[N+]([O-])Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-7-11-14-17(18)15-16-12-9-8-10-13-16/h3-4,7-14H,2,5-6,15H2,1H3
InChIKeyUOHADJJCTJYOKM-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.07
Rot. Bonds7

About N-benzylnona-2,6-dien-1-imine oxide

N-benzylnona-2,6-dien-1-imine oxide (PubChem CID 170783257) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-benzylnona-2,6-dien-1-imine oxide.

Molecular Properties

Compound NameN-benzylnona-2,6-dien-1-imine oxide
PubChem CID170783257
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-benzylnona-2,6-dien-1-imine oxide
SMILESCCC=CCCC=CC=[N+]([O-])Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-7-11-14-17(18)15-16-12-9-8-10-13-16/h3-4,7-14H,2,5-6,15H2,1H3
InChIKeyUOHADJJCTJYOKM-UHFFFAOYSA-N
XLogP4.07
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylnona-2,6-dien-1-imine oxide?
The IUPAC name of N-benzylnona-2,6-dien-1-imine oxide (CID 170783257) is N-benzylnona-2,6-dien-1-imine oxide.
What is the SMILES notation for N-benzylnona-2,6-dien-1-imine oxide?
The canonical SMILES for N-benzylnona-2,6-dien-1-imine oxide is CCC=CCCC=CC=[N+]([O-])Cc1ccccc1.
What is the InChIKey of N-benzylnona-2,6-dien-1-imine oxide?
The InChIKey is UOHADJJCTJYOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-4-5-6-7-11-14-17(18)15-16-12-9-8-10-13-16/h3-4,7-14H,2,5-6,15H2,1H3.
What are the key properties of N-benzylnona-2,6-dien-1-imine oxide?
N-benzylnona-2,6-dien-1-imine oxide has a molecular weight of 243.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylnona-2,6-dien-1-imine oxide is sourced from PubChem (CID 170783257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).