(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)

C11H21NOU — CID 158197892

IUPAC(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)
SMILESC/C=C(/C)OC[C@@H]1C[CH-]CN1C.[CH3-].[U+2]
InChIInChI=1S/C10H18NO.CH3.U/c1-4-9(2)12-8-10-6-5-7-11(10)3;;/h4-5,10H,6-8H2,1-3H3;1H3;/q2*-1;+2/b9-4-;;/t10-;;/m0../s1
InChIKeyKBNUPSLIOUSNHJ-ZPEDOYBFSA-N
MW421.32 g/mol
LogP2.29
Rot. Bonds3

About (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)

(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+) (PubChem CID 158197892) has the molecular formula C11H21NOU and a molecular weight of 421.32 g/mol. Its IUPAC name is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+).

Molecular Properties

Compound Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)
PubChem CID158197892
Molecular FormulaC11H21NOU
Molecular Weight421.32 g/mol
Exact Mass421.21
IUPAC Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)
SMILESC/C=C(/C)OC[C@@H]1C[CH-]CN1C.[CH3-].[U+2]
InChIInChI=1S/C10H18NO.CH3.U/c1-4-9(2)12-8-10-6-5-7-11(10)3;;/h4-5,10H,6-8H2,1-3H3;1H3;/q2*-1;+2/b9-4-;;/t10-;;/m0../s1
InChIKeyKBNUPSLIOUSNHJ-ZPEDOYBFSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)?
The IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+) (CID 158197892) is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+).
What is the SMILES notation for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)?
The canonical SMILES for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+) is C/C=C(/C)OC[C@@H]1C[CH-]CN1C.[CH3-].[U+2].
What is the InChIKey of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)?
The InChIKey is KBNUPSLIOUSNHJ-ZPEDOYBFSA-N. The full InChI is InChI=1S/C10H18NO.CH3.U/c1-4-9(2)12-8-10-6-5-7-11(10)3;;/h4-5,10H,6-8H2,1-3H3;1H3;/q2*-1;+2/b9-4-;;/t10-;;/m0../s1.
What are the key properties of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)?
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+) has a molecular weight of 421.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+) is sourced from PubChem (CID 158197892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).