magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride

C15H15ClMgO — CID 134858269

IUPACmagnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride
SMILESCC1(C)C[C-]1C1C(=O)C=Cc2ccccc21.[Cl-].[Mg+2]
InChIInChI=1S/C15H15O.ClH.Mg/c1-15(2)9-12(15)14-11-6-4-3-5-10(11)7-8-13(14)16;;/h3-8,14H,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyZXHYFQFKYXECQM-UHFFFAOYSA-M
MW271.04 g/mol
LogP-0.01
Rot. Bonds1

About magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride

magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride (PubChem CID 134858269) has the molecular formula C15H15ClMgO and a molecular weight of 271.04 g/mol. Its IUPAC name is magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride.

Molecular Properties

Compound Namemagnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride
PubChem CID134858269
Molecular FormulaC15H15ClMgO
Molecular Weight271.04 g/mol
Exact Mass270.07
IUPAC Namemagnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride
SMILESCC1(C)C[C-]1C1C(=O)C=Cc2ccccc21.[Cl-].[Mg+2]
InChIInChI=1S/C15H15O.ClH.Mg/c1-15(2)9-12(15)14-11-6-4-3-5-10(11)7-8-13(14)16;;/h3-8,14H,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyZXHYFQFKYXECQM-UHFFFAOYSA-M
XLogP-0.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 102399730
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CID 134854212
N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812
1,1-dimethyl-11bH-benzo[a]quinolizin-2-one
CID 132541281
13,15-dimethyl-13,15-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,11(16)-pentaene-12,14-dione
CID 12034984
1-(1-methylcyclohexyl)-1H-indene
CID 150220559
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
CID 134123539
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
CID 156719082
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
1,2-dihydronaphthalen-1-ylphosphane
CID 154530712
(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
CID 10375433
12bH-pyrido[2,1-a][2]benzazepin-6-one
CID 22168440

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride?
The IUPAC name of magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride (CID 134858269) is magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride.
What is the SMILES notation for magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride?
The canonical SMILES for magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride is CC1(C)C[C-]1C1C(=O)C=Cc2ccccc21.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride?
The InChIKey is ZXHYFQFKYXECQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15O.ClH.Mg/c1-15(2)9-12(15)14-11-6-4-3-5-10(11)7-8-13(14)16;;/h3-8,14H,9H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride?
magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride has a molecular weight of 271.04 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride is sourced from PubChem (CID 134858269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).