(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone

C19H23NO2 — CID 15882425

IUPAC(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO2/c21-18(12-20-22-13-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,12,15-17H,6-11,13H2/b20-12+
InChIKeyORVXYZZAASFYGH-UDWIEESQSA-N
MW297.40 g/mol
LogP3.97
Rot. Bonds5

About (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone

(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone (PubChem CID 15882425) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone
PubChem CID15882425
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO2/c21-18(12-20-22-13-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,12,15-17H,6-11,13H2/b20-12+
InChIKeyORVXYZZAASFYGH-UDWIEESQSA-N
XLogP3.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine
CID 101138955
[(E)-benzylideneamino] adamantane-1-carboxylate
CID 58226047
(Benzylideneamino) adamantane-1-carboxylate
CID 76708605
1-(Benzyloxyimino-methyl)-cyclohexanecarboxylic acid methyl ester
CID 86606472
(3S,5R)-1-(Benzyloxyimino-methyl)-3,5-dimethyl-cyclohexanecarboxylic acid methyl ester
CID 86606483
(3S,5R)-1-(Benzyloxyimino-methyl)-3,5-dimethyl-cyclohexanecarboxylic acid
CID 86606484
Methyl 4-ethyl-1-(phenylmethoxyiminomethyl)cyclohexane-1-carboxylate
CID 87739912
methyl 4-ethyl-1-[(Z)-phenylmethoxyiminomethyl]cyclohexane-1-carboxylate
CID 87739914
methyl 1-[(E)-phenylmethoxyiminomethyl]cyclohexane-1-carboxylate
CID 87739995
cis-(3R,5S)-3,5-dimethyl-1-[(E)-phenylmethoxyiminomethyl]cyclohexane-1-carboxylic acid
CID 87740553

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone?
The IUPAC name of (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone (CID 15882425) is (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone.
What is the SMILES notation for (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone?
The canonical SMILES for (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone is O=C(/C=N/OCc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone?
The InChIKey is ORVXYZZAASFYGH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(12-20-22-13-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,12,15-17H,6-11,13H2/b20-12+.
What are the key properties of (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone?
(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone has a molecular weight of 297.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone is sourced from PubChem (CID 15882425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).