cycloundecanecarbonyl(methyl)azanide;rhenium

C13H24NORe- — CID 163449184

IUPACcycloundecanecarbonyl(methyl)azanide;rhenium
SMILESC[N-]C(=O)C1CCCCCCCCCC1.[Re]
InChIInChI=1S/C13H25NO.Re/c1-14-13(15)12-10-8-6-4-2-3-5-7-9-11-12;/h12H,2-11H2,1H3,(H,14,15);/p-1
InChIKeyPHYLSLFOCMUAIM-UHFFFAOYSA-M
MW396.55 g/mol
LogP4.04
Rot. Bonds1

About cycloundecanecarbonyl(methyl)azanide;rhenium

cycloundecanecarbonyl(methyl)azanide;rhenium (PubChem CID 163449184) has the molecular formula C13H24NORe- and a molecular weight of 396.55 g/mol. Its IUPAC name is cycloundecanecarbonyl(methyl)azanide;rhenium.

Molecular Properties

Compound Namecycloundecanecarbonyl(methyl)azanide;rhenium
PubChem CID163449184
Molecular FormulaC13H24NORe-
Molecular Weight396.55 g/mol
Exact Mass397.14
IUPAC Namecycloundecanecarbonyl(methyl)azanide;rhenium
SMILESC[N-]C(=O)C1CCCCCCCCCC1.[Re]
InChIInChI=1S/C13H25NO.Re/c1-14-13(15)12-10-8-6-4-2-3-5-7-9-11-12;/h12H,2-11H2,1H3,(H,14,15);/p-1
InChIKeyPHYLSLFOCMUAIM-UHFFFAOYSA-M
XLogP4.04
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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chloromethane;cyclohexanecarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cycloundecanecarbonyl(methyl)azanide;rhenium?
The IUPAC name of cycloundecanecarbonyl(methyl)azanide;rhenium (CID 163449184) is cycloundecanecarbonyl(methyl)azanide;rhenium.
What is the SMILES notation for cycloundecanecarbonyl(methyl)azanide;rhenium?
The canonical SMILES for cycloundecanecarbonyl(methyl)azanide;rhenium is C[N-]C(=O)C1CCCCCCCCCC1.[Re].
What is the InChIKey of cycloundecanecarbonyl(methyl)azanide;rhenium?
The InChIKey is PHYLSLFOCMUAIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25NO.Re/c1-14-13(15)12-10-8-6-4-2-3-5-7-9-11-12;/h12H,2-11H2,1H3,(H,14,15);/p-1.
What are the key properties of cycloundecanecarbonyl(methyl)azanide;rhenium?
cycloundecanecarbonyl(methyl)azanide;rhenium has a molecular weight of 396.55 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundecanecarbonyl(methyl)azanide;rhenium is sourced from PubChem (CID 163449184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).