[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid

C11H20BNO3 — CID 143049707

IUPAC[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
SMILESO=C(C1CCCCC1)N1CCCC1B(O)O
InChIInChI=1S/C11H20BNO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10,15-16H,1-8H2
InChIKeyLNRSYZWMNPQANS-UHFFFAOYSA-N
MW225.10 g/mol
LogP0.57
Rot. Bonds2

About [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid

[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid (PubChem CID 143049707) has the molecular formula C11H20BNO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
PubChem CID143049707
Molecular FormulaC11H20BNO3
Molecular Weight225.10 g/mol
Exact Mass225.15
IUPAC Name[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
SMILESO=C(C1CCCCC1)N1CCCC1B(O)O
InChIInChI=1S/C11H20BNO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10,15-16H,1-8H2
InChIKeyLNRSYZWMNPQANS-UHFFFAOYSA-N
XLogP0.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
CID 146358075
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid?
The IUPAC name of [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid (CID 143049707) is [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid is O=C(C1CCCCC1)N1CCCC1B(O)O.
What is the InChIKey of [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid?
The InChIKey is LNRSYZWMNPQANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10,15-16H,1-8H2.
What are the key properties of [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid?
[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid has a molecular weight of 225.10 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 143049707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).