magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride

C7H8ClMgNO — CID 134860160

IUPACmagnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride
SMILESC[C@]1([O-])C=C(C#N)CC1.[Cl-].[Mg+2]
InChIInChI=1S/C7H8NO.ClH.Mg/c1-7(9)3-2-6(4-7)5-8;;/h4H,2-3H2,1H3;1H;/q-1;;+2/p-1/t7-;;/m1../s1
InChIKeyFTSDVPHESWBINT-XCUBXKJBSA-M
MW181.91 g/mol
LogP-3.03
Rot. Bonds

About magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride

magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride (PubChem CID 134860160) has the molecular formula C7H8ClMgNO and a molecular weight of 181.91 g/mol. Its IUPAC name is magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride.

Molecular Properties

Compound Namemagnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride
PubChem CID134860160
Molecular FormulaC7H8ClMgNO
Molecular Weight181.91 g/mol
Exact Mass181.01
IUPAC Namemagnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride
SMILESC[C@]1([O-])C=C(C#N)CC1.[Cl-].[Mg+2]
InChIInChI=1S/C7H8NO.ClH.Mg/c1-7(9)3-2-6(4-7)5-8;;/h4H,2-3H2,1H3;1H;/q-1;;+2/p-1/t7-;;/m1../s1
InChIKeyFTSDVPHESWBINT-XCUBXKJBSA-M
XLogP-3.03
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.91
LogP ≤ 5-3.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-3-methylcyclopentene-1-carbonitrile
CID 12128691
3-Hydroxy-3-methylcyclopentene-1-carbonitrile
CID 11252001

Frequently Asked Questions

What is the IUPAC name of magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride?
The IUPAC name of magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride (CID 134860160) is magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride.
What is the SMILES notation for magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride?
The canonical SMILES for magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride is C[C@]1([O-])C=C(C#N)CC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride?
The InChIKey is FTSDVPHESWBINT-XCUBXKJBSA-M. The full InChI is InChI=1S/C7H8NO.ClH.Mg/c1-7(9)3-2-6(4-7)5-8;;/h4H,2-3H2,1H3;1H;/q-1;;+2/p-1/t7-;;/m1../s1.
What are the key properties of magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride?
magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride has a molecular weight of 181.91 g/mol, XLogP of -3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride is sourced from PubChem (CID 134860160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).