potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium

C18H28F3KN3O5U- — CID 162130462

IUPACpotassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium
SMILESNNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F.[CH3-].[K+].[U]
InChIInChI=1S/C15H25N3O3.C2HF3O2.CH3.K.U/c16-17-13(19)9-7-5-3-1-2-4-6-8-12-18-14(20)10-11-15(18)21;3-2(4,5)1(6)7;;;/h10-11H,1-9,12,16H2,(H,17,19);(H,6,7);1H3;;/q;;-1;+1;/p-1
InChIKeyKBBHUDDHCZVLJD-UHFFFAOYSA-M
MW700.56 g/mol
LogP-1.83
Rot. Bonds11

About potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium

potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium (PubChem CID 162130462) has the molecular formula C18H28F3KN3O5U- and a molecular weight of 700.56 g/mol. Its IUPAC name is potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium.

Molecular Properties

Compound Namepotassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium
PubChem CID162130462
Molecular FormulaC18H28F3KN3O5U-
Molecular Weight700.56 g/mol
Exact Mass700.21
IUPAC Namepotassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium
SMILESNNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F.[CH3-].[K+].[U]
InChIInChI=1S/C15H25N3O3.C2HF3O2.CH3.K.U/c16-17-13(19)9-7-5-3-1-2-4-6-8-12-18-14(20)10-11-15(18)21;3-2(4,5)1(6)7;;;/h10-11H,1-9,12,16H2,(H,17,19);(H,6,7);1H3;;/q;;-1;+1;/p-1
InChIKeyKBBHUDDHCZVLJD-UHFFFAOYSA-M
XLogP-1.83
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.56
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Maleimidohexanehydrazide Trifluoroacetate
CID 23509306
N-kappa-Maleimidoundecanoic acid hydrazide trifluoroacetate (1:1)
CID 156026938
6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N'-methylhexanehydrazide trifluoroacetate
CID 70980470
KMUH (N-(kappa-maleimidoundecanoic acid) hydrazide, trifluoroacetic acid salt)
CID 124202979
EMCH (N-(epsilon-maleimidocaproic acid) hydrazide, trifluoroacetic acid salt)
CID 124202982
N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 59867050
11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide
CID 147575393

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium?
The IUPAC name of potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium (CID 162130462) is potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium.
What is the SMILES notation for potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium?
The canonical SMILES for potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium is NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F.[CH3-].[K+].[U].
What is the InChIKey of potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium?
The InChIKey is KBBHUDDHCZVLJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N3O3.C2HF3O2.CH3.K.U/c16-17-13(19)9-7-5-3-1-2-4-6-8-12-18-14(20)10-11-15(18)21;3-2(4,5)1(6)7;;;/h10-11H,1-9,12,16H2,(H,17,19);(H,6,7);1H3;;/q;;-1;+1;/p-1.
What are the key properties of potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium?
potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium has a molecular weight of 700.56 g/mol, XLogP of -1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium is sourced from PubChem (CID 162130462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).