cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

C10H20CsNO — CID 163270622

IUPACcesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CCCN1C.[CH3-].[Cs+]
InChIInChI=1S/C9H17NO.CH3.Cs/c1-8(2)11-7-9-5-4-6-10(9)3;;/h9H,1,4-7H2,2-3H3;1H3;/q;-1;+1
InChIKeyNVPCFZZICJYFID-UHFFFAOYSA-N
MW303.18 g/mol
LogP-0.91
Rot. Bonds3

About cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 163270622) has the molecular formula C10H20CsNO and a molecular weight of 303.18 g/mol. Its IUPAC name is cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Namecesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID163270622
Molecular FormulaC10H20CsNO
Molecular Weight303.18 g/mol
Exact Mass303.06
IUPAC Namecesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CCCN1C.[CH3-].[Cs+]
InChIInChI=1S/C9H17NO.CH3.Cs/c1-8(2)11-7-9-5-4-6-10(9)3;;/h9H,1,4-7H2,2-3H3;1H3;/q;-1;+1
InChIKeyNVPCFZZICJYFID-UHFFFAOYSA-N
XLogP-0.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 5-0.91
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 cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 163270622) is cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C(C)OCC1CCCN1C.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is NVPCFZZICJYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.CH3.Cs/c1-8(2)11-7-9-5-4-6-10(9)3;;/h9H,1,4-7H2,2-3H3;1H3;/q;-1;+1.
What are the key properties of cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 303.18 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 163270622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).