methyl(propanoyl)azanide;neodymium(3+);bromide

C8H16BrN2NdO2 — CID 87162715

IUPACmethyl(propanoyl)azanide;neodymium(3+);bromide
SMILESCCC(=O)[N-]C.CCC(=O)[N-]C.[Br-].[Nd+3]
InChIInChI=1S/2C4H9NO.BrH.Nd/c2*1-3-4(6)5-2;;/h2*3H2,1-2H3,(H,5,6);1H;/q;;;+3/p-3
InChIKeyHSJKAEKWRFQPIX-UHFFFAOYSA-K
MW396.37 g/mol
LogP-1.14
Rot. Bonds2

About methyl(propanoyl)azanide;neodymium(3+);bromide

methyl(propanoyl)azanide;neodymium(3+);bromide (PubChem CID 87162715) has the molecular formula C8H16BrN2NdO2 and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl(propanoyl)azanide;neodymium(3+);bromide.

Molecular Properties

Compound Namemethyl(propanoyl)azanide;neodymium(3+);bromide
PubChem CID87162715
Molecular FormulaC8H16BrN2NdO2
Molecular Weight396.37 g/mol
Exact Mass392.95
IUPAC Namemethyl(propanoyl)azanide;neodymium(3+);bromide
SMILESCCC(=O)[N-]C.CCC(=O)[N-]C.[Br-].[Nd+3]
InChIInChI=1S/2C4H9NO.BrH.Nd/c2*1-3-4(6)5-2;;/h2*3H2,1-2H3,(H,5,6);1H;/q;;;+3/p-3
InChIKeyHSJKAEKWRFQPIX-UHFFFAOYSA-K
XLogP-1.14
TPSA62.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl(propanoyl)azanide;neodymium(3+);bromide?
The IUPAC name of methyl(propanoyl)azanide;neodymium(3+);bromide (CID 87162715) is methyl(propanoyl)azanide;neodymium(3+);bromide.
What is the SMILES notation for methyl(propanoyl)azanide;neodymium(3+);bromide?
The canonical SMILES for methyl(propanoyl)azanide;neodymium(3+);bromide is CCC(=O)[N-]C.CCC(=O)[N-]C.[Br-].[Nd+3].
What is the InChIKey of methyl(propanoyl)azanide;neodymium(3+);bromide?
The InChIKey is HSJKAEKWRFQPIX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C4H9NO.BrH.Nd/c2*1-3-4(6)5-2;;/h2*3H2,1-2H3,(H,5,6);1H;/q;;;+3/p-3.
What are the key properties of methyl(propanoyl)azanide;neodymium(3+);bromide?
methyl(propanoyl)azanide;neodymium(3+);bromide has a molecular weight of 396.37 g/mol, XLogP of -1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(propanoyl)azanide;neodymium(3+);bromide is sourced from PubChem (CID 87162715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).