potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene

C13H27KN2O2 — CID 176931826

IUPACpotassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
SMILESC=CC.CC(C)(C)CC(=O)N1CCC(O)C1.[K+].[NH2-]
InChIInChI=1S/C10H19NO2.C3H6.K.H2N/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;;/h8,12H,4-7H2,1-3H3;3H,1H2,2H3;;1H2/q;;+1;-1
InChIKeyPKIVLYAODFYLKC-UHFFFAOYSA-N
MW282.47 g/mol
LogP-0.07
Rot. Bonds1

About potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene

potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene (PubChem CID 176931826) has the molecular formula C13H27KN2O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene.

Molecular Properties

Compound Namepotassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
PubChem CID176931826
Molecular FormulaC13H27KN2O2
Molecular Weight282.47 g/mol
Exact Mass282.17
IUPAC Namepotassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
SMILESC=CC.CC(C)(C)CC(=O)N1CCC(O)C1.[K+].[NH2-]
InChIInChI=1S/C10H19NO2.C3H6.K.H2N/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;;/h8,12H,4-7H2,1-3H3;3H,1H2,2H3;;1H2/q;;+1;-1
InChIKeyPKIVLYAODFYLKC-UHFFFAOYSA-N
XLogP-0.07
TPSA74.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
CID 170976675
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 114801720

Frequently Asked Questions

What is the IUPAC name of potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene?
The IUPAC name of potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene (CID 176931826) is potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene.
What is the SMILES notation for potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene?
The canonical SMILES for potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene is C=CC.CC(C)(C)CC(=O)N1CCC(O)C1.[K+].[NH2-].
What is the InChIKey of potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene?
The InChIKey is PKIVLYAODFYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C3H6.K.H2N/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;;/h8,12H,4-7H2,1-3H3;3H,1H2,2H3;;1H2/q;;+1;-1.
What are the key properties of potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene?
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene has a molecular weight of 282.47 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene is sourced from PubChem (CID 176931826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).