2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde

C15H19NO2 — CID 163774304

IUPAC2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
SMILES[H]/N=C(\CC/C=C/C(O)CC)c1ccccc1C=O
InChIInChI=1S/C15H19NO2/c1-2-13(18)8-4-6-10-15(16)14-9-5-3-7-12(14)11-17/h3-5,7-9,11,13,16,18H,2,6,10H2,1H3/b8-4+,16-15+
InChIKeyMJBXYGGNXCLMGK-FESCQNLSSA-N
MW245.32 g/mol
LogP2.97
Rot. Bonds7

About 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde

2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde (PubChem CID 163774304) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde.

Molecular Properties

Compound Name2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
PubChem CID163774304
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
SMILES[H]/N=C(\CC/C=C/C(O)CC)c1ccccc1C=O
InChIInChI=1S/C15H19NO2/c1-2-13(18)8-4-6-10-15(16)14-9-5-3-7-12(14)11-17/h3-5,7-9,11,13,16,18H,2,6,10H2,1H3/b8-4+,16-15+
InChIKeyMJBXYGGNXCLMGK-FESCQNLSSA-N
XLogP2.97
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-N,N-dimethylbenzenecarboximidamide
CID 57076481
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
2-[7-(2-formylphenyl)-4,7-dioxoheptanoyl]benzaldehyde
CID 166643291
ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane
CID 143427772
2-formylbenzoyl iodide
CID 88830490
2-formylbenzoic acid;methoxymethane
CID 90858085
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
2-formylbenzenecarbothioamide
CID 23021460
ethanol;2-methylbenzaldehyde
CID 161286186
2-methyl-1-phenylbutan-1-imine
CID 12072867
[(Z)-4-(3-formyl-2-hydroxyphenyl)-4-iminobut-2-en-2-yl]-methylazanium
CID 156650190

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde?
The IUPAC name of 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde (CID 163774304) is 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde.
What is the SMILES notation for 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde?
The canonical SMILES for 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde is [H]/N=C(\CC/C=C/C(O)CC)c1ccccc1C=O.
What is the InChIKey of 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde?
The InChIKey is MJBXYGGNXCLMGK-FESCQNLSSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-13(18)8-4-6-10-15(16)14-9-5-3-7-12(14)11-17/h3-5,7-9,11,13,16,18H,2,6,10H2,1H3/b8-4+,16-15+.
What are the key properties of 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde?
2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde is sourced from PubChem (CID 163774304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).