copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C21H19CuNO2 — CID 11372377

IUPACcopper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/N[C@@H](c1ccccc1)[C@H](O)c1ccccc1.[Cu]
InChIInChI=1S/C21H19NO2.Cu/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17;/h1-15,20-22,24H;/b18-15-;/t20-,21+;/m0./s1
InChIKeySCLQUXSIKAEEIZ-ANUOSDKJSA-N
MW380.93 g/mol
LogP3.63
Rot. Bonds5

About copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 11372377) has the molecular formula C21H19CuNO2 and a molecular weight of 380.93 g/mol. Its IUPAC name is copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecopper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID11372377
Molecular FormulaC21H19CuNO2
Molecular Weight380.93 g/mol
Exact Mass380.07
IUPAC Namecopper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/N[C@@H](c1ccccc1)[C@H](O)c1ccccc1.[Cu]
InChIInChI=1S/C21H19NO2.Cu/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17;/h1-15,20-22,24H;/b18-15-;/t20-,21+;/m0./s1
InChIKeySCLQUXSIKAEEIZ-ANUOSDKJSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.93
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708
N-Isobutyl-1,2-diphenylethanolamine
CID 3036007
(1Z,4Z)-1,5-Bis [4-(methylaminoethanol)phenyl]-1,4-pentadiene-3-one (7)
CID 76401531
(1R,2S)-2-(2-aminoethylamino)-1,2-diphenylethanol
CID 90680249
2-(2-Aminoethylamino)-1,2-diphenylethanol
CID 327089
N-(2-hydroxy-1,2-diphenylethyl)acetamide
CID 5151076
2-(Benzylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1)
CID 41105
(1S,2R)-2-(Isopropylamino)-1,2-diphenylethanol
CID 688271
(1R,2S)-N-Benzyl-2-amino-1,2-diphenylethanol
CID 2756608
2-(Cyclohexylamino)-1,2-diphenylethanol
CID 411968
2,5-bis[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 5468298

Frequently Asked Questions

What is the IUPAC name of copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 11372377) is copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/N[C@@H](c1ccccc1)[C@H](O)c1ccccc1.[Cu].
What is the InChIKey of copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is SCLQUXSIKAEEIZ-ANUOSDKJSA-N. The full InChI is InChI=1S/C21H19NO2.Cu/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17;/h1-15,20-22,24H;/b18-15-;/t20-,21+;/m0./s1.
What are the key properties of copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 380.93 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(6Z)-6-[[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 11372377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).