cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel

C10H14CoNiO — CID 87784204

IUPACcobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
SMILESC=C(C)C1CC=C(C)C(=O)C1.[Co].[Ni]
InChIInChI=1S/C10H14O.Co.Ni/c1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9H,1,5-6H2,2-3H3;;
InChIKeyFYRDAJUXMXUPQY-UHFFFAOYSA-N
MW267.85 g/mol
LogP2.48
Rot. Bonds1

About cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel

cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel (PubChem CID 87784204) has the molecular formula C10H14CoNiO and a molecular weight of 267.85 g/mol. Its IUPAC name is cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel.

Molecular Properties

Compound Namecobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
PubChem CID87784204
Molecular FormulaC10H14CoNiO
Molecular Weight267.85 g/mol
Exact Mass266.97
IUPAC Namecobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
SMILESC=C(C)C1CC=C(C)C(=O)C1.[Co].[Ni]
InChIInChI=1S/C10H14O.Co.Ni/c1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9H,1,5-6H2,2-3H3;;
InChIKeyFYRDAJUXMXUPQY-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.85
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 160936177
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
CID 172962853
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
(5R)-5-(3-bromoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 11345224
5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 139655338
bis(3-cyclohexyl-1-[11,17,23-tris(3-cyclohexylpropanoyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]propan-1-one);bis((5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one)
CID 139195695
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
CID 45085864
2-hydroxy-2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)prop-2-enyl]indene-1,3-dione
CID 10470631
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
(2S,3S,4E)-2,3-dimethyl-4-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]butanoic acid
CID 10857831
acetyl acetate;(3S)-3-(1,3-dioxolan-2-ylmethyl)-4-methylpentan-1-ol;[(3S)-3-(1,3-dioxolan-2-ylmethyl)-4-methylpentyl] acetate;methane;[(3S)-4-methyl-3-(2-oxoethyl)pentyl] acetate;(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 158680424
[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 102093569

Frequently Asked Questions

What is the IUPAC name of cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel?
The IUPAC name of cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel (CID 87784204) is cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel.
What is the SMILES notation for cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel?
The canonical SMILES for cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel is C=C(C)C1CC=C(C)C(=O)C1.[Co].[Ni].
What is the InChIKey of cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel?
The InChIKey is FYRDAJUXMXUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.Co.Ni/c1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9H,1,5-6H2,2-3H3;;.
What are the key properties of cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel?
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel has a molecular weight of 267.85 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel is sourced from PubChem (CID 87784204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).