copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide

C13H20CuNO3- — CID 6832797

IUPACcopper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide
SMILESCCC(C)C(CO)NC=C1C=CC=CC1=O.[Cu].[OH-]
InChIInChI=1S/C13H19NO2.Cu.H2O/c1-3-10(2)12(9-15)14-8-11-6-4-5-7-13(11)16;;/h4-8,10,12,14-15H,3,9H2,1-2H3;;1H2/p-1
InChIKeyIELYWKYBUAGIOJ-UHFFFAOYSA-M
MW301.85 g/mol
LogP1.38
Rot. Bonds5

About copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide

copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide (PubChem CID 6832797) has the molecular formula C13H20CuNO3- and a molecular weight of 301.85 g/mol. Its IUPAC name is copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide.

Molecular Properties

Compound Namecopper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide
PubChem CID6832797
Molecular FormulaC13H20CuNO3-
Molecular Weight301.85 g/mol
Exact Mass301.07
IUPAC Namecopper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide
SMILESCCC(C)C(CO)NC=C1C=CC=CC1=O.[Cu].[OH-]
InChIInChI=1S/C13H19NO2.Cu.H2O/c1-3-10(2)12(9-15)14-8-11-6-4-5-7-13(11)16;;/h4-8,10,12,14-15H,3,9H2,1-2H3;;1H2/p-1
InChIKeyIELYWKYBUAGIOJ-UHFFFAOYSA-M
XLogP1.38
TPSA79.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.85
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
cobalt;bis(6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 6811336
diphenyltin;(2S)-3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid
CID 11272110
cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 10622863
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
CID 91339414
bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride
CID 6849989
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 6791225
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361

Frequently Asked Questions

What is the IUPAC name of copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide?
The IUPAC name of copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide (CID 6832797) is copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide.
What is the SMILES notation for copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide?
The canonical SMILES for copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide is CCC(C)C(CO)NC=C1C=CC=CC1=O.[Cu].[OH-].
What is the InChIKey of copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide?
The InChIKey is IELYWKYBUAGIOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19NO2.Cu.H2O/c1-3-10(2)12(9-15)14-8-11-6-4-5-7-13(11)16;;/h4-8,10,12,14-15H,3,9H2,1-2H3;;1H2/p-1.
What are the key properties of copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide?
copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide has a molecular weight of 301.85 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide is sourced from PubChem (CID 6832797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).