(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde

C11H11NO3 — CID 59885030

IUPAC(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde
SMILESCO/N=C(/C=O)c1ccccc1C(C)=O
InChIInChI=1S/C11H11NO3/c1-8(14)9-5-3-4-6-10(9)11(7-13)12-15-2/h3-7H,1-2H3/b12-11-
InChIKeyCGAAEDWHSSOKBR-QXMHVHEDSA-N
MW205.21 g/mol
LogP1.44
Rot. Bonds4

About (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde

(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde (PubChem CID 59885030) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde.

Molecular Properties

Compound Name(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde
PubChem CID59885030
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde
SMILESCO/N=C(/C=O)c1ccccc1C(C)=O
InChIInChI=1S/C11H11NO3/c1-8(14)9-5-3-4-6-10(9)11(7-13)12-15-2/h3-7H,1-2H3/b12-11-
InChIKeyCGAAEDWHSSOKBR-QXMHVHEDSA-N
XLogP1.44
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
CID 59317946
1-(2-acetylphenyl)ethanone;methane
CID 158210616
ethane;1-(2-hydroxyphenyl)ethanone;2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenol
CID 172964742
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
2-(2-hydroxyphenyl)-2-methoxyiminoacetic acid
CID 135997752
(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
CID 138456947
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
(2E)-2-methoxyimino-2-[3-methyl-2-[[(Z)-[2-oxo-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]acetaldehyde
CID 157024229
(2-acetylphenyl) 3-methylbut-2-enoate
CID 86069754

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde?
The IUPAC name of (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde (CID 59885030) is (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde.
What is the SMILES notation for (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde?
The canonical SMILES for (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde is CO/N=C(/C=O)c1ccccc1C(C)=O.
What is the InChIKey of (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde?
The InChIKey is CGAAEDWHSSOKBR-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(14)9-5-3-4-6-10(9)11(7-13)12-15-2/h3-7H,1-2H3/b12-11-.
What are the key properties of (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde?
(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde is sourced from PubChem (CID 59885030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).