potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one

C16H33KNO- — CID 157097764

IUPACpotassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC.CC(C)C(=O)C1CCCN1C(C)C.[CH3-].[H][C-]=C.[K+]
InChIInChI=1S/C11H21NO.C2H6.C2H3.CH3.K/c1-8(2)11(13)10-6-5-7-12(10)9(3)4;2*1-2;;/h8-10H,5-7H2,1-4H3;1-2H3;1H,2H2;1H3;/q;;2*-1;+1
InChIKeySNKARJCPVYZCQB-UHFFFAOYSA-N
MW294.54 g/mol
LogP1.17
Rot. Bonds3

About potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one

potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one (PubChem CID 157097764) has the molecular formula C16H33KNO- and a molecular weight of 294.54 g/mol. Its IUPAC name is potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Namepotassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
PubChem CID157097764
Molecular FormulaC16H33KNO-
Molecular Weight294.54 g/mol
Exact Mass294.22
IUPAC Namepotassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC.CC(C)C(=O)C1CCCN1C(C)C.[CH3-].[H][C-]=C.[K+]
InChIInChI=1S/C11H21NO.C2H6.C2H3.CH3.K/c1-8(2)11(13)10-6-5-7-12(10)9(3)4;2*1-2;;/h8-10H,5-7H2,1-4H3;1-2H3;1H,2H2;1H3;/q;;2*-1;+1
InChIKeySNKARJCPVYZCQB-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(2R)-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]hexan-1-one
CID 155410208
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
2-methyl-1-(1-sulfanylpyrrolidin-2-yl)propan-1-one
CID 170075221
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20813683
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one (CID 157097764) is potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one is CC.CC(C)C(=O)C1CCCN1C(C)C.[CH3-].[H][C-]=C.[K+].
What is the InChIKey of potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The InChIKey is SNKARJCPVYZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6.C2H3.CH3.K/c1-8(2)11(13)10-6-5-7-12(10)9(3)4;2*1-2;;/h8-10H,5-7H2,1-4H3;1-2H3;1H,2H2;1H3;/q;;2*-1;+1.
What are the key properties of potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one has a molecular weight of 294.54 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 157097764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).