cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide

C8H17CsN2O — CID 177005866

IUPACcesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCNC1.[CH3-].[Cs+]
InChIInChI=1S/C7H14N2O.CH3.Cs/c1-9(2)7(10)6-3-4-8-5-6;;/h6,8H,3-5H2,1-2H3;1H3;/q;-1;+1
InChIKeyPFXCSEWJVQDDPF-UHFFFAOYSA-N
MW290.14 g/mol
LogP-2.86
Rot. Bonds1

About cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide

cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 177005866) has the molecular formula C8H17CsN2O and a molecular weight of 290.14 g/mol. Its IUPAC name is cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Namecesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID177005866
Molecular FormulaC8H17CsN2O
Molecular Weight290.14 g/mol
Exact Mass290.04
IUPAC Namecesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCNC1.[CH3-].[Cs+]
InChIInChI=1S/C7H14N2O.CH3.Cs/c1-9(2)7(10)6-3-4-8-5-6;;/h6,8H,3-5H2,1-2H3;1H3;/q;-1;+1
InChIKeyPFXCSEWJVQDDPF-UHFFFAOYSA-N
XLogP-2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 5-2.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 23090095
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
N,N-dimethyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63005583
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119687382
(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
CID 164886400
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55150427

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide (CID 177005866) is cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1CCNC1.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is PFXCSEWJVQDDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.CH3.Cs/c1-9(2)7(10)6-3-4-8-5-6;;/h6,8H,3-5H2,1-2H3;1H3;/q;-1;+1.
What are the key properties of cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide?
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 290.14 g/mol, XLogP of -2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 177005866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).