methyl-(2-methylpyrrolidin-1-yl)borinic acid

C6H14BNO — CID 158759430

IUPACmethyl-(2-methylpyrrolidin-1-yl)borinic acid
SMILESCB(O)N1CCCC1C
InChIInChI=1S/C6H14BNO/c1-6-4-3-5-8(6)7(2)9/h6,9H,3-5H2,1-2H3
InChIKeyANBXTNAGSMMFJC-UHFFFAOYSA-N
MW127.00 g/mol
LogP0.58
Rot. Bonds1

About methyl-(2-methylpyrrolidin-1-yl)borinic acid

methyl-(2-methylpyrrolidin-1-yl)borinic acid (PubChem CID 158759430) has the molecular formula C6H14BNO and a molecular weight of 127.00 g/mol. Its IUPAC name is methyl-(2-methylpyrrolidin-1-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(2-methylpyrrolidin-1-yl)borinic acid
PubChem CID158759430
Molecular FormulaC6H14BNO
Molecular Weight127.00 g/mol
Exact Mass127.12
IUPAC Namemethyl-(2-methylpyrrolidin-1-yl)borinic acid
SMILESCB(O)N1CCCC1C
InChIInChI=1S/C6H14BNO/c1-6-4-3-5-8(6)7(2)9/h6,9H,3-5H2,1-2H3
InChIKeyANBXTNAGSMMFJC-UHFFFAOYSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.00
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-(2-methylpyrrolidin-1-yl)borinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-(3-methylpiperidin-1-yl)borinic acid
CID 18713308
1,2-dimethylpyrrolidine;methanol
CID 158560912
1,2-dimethylcyclobutane;methylboronic acid
CID 90968222
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
(2,6-dimethylpiperidin-1-yl)-dimethylborane
CID 169243459
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
N-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]ethenamine
CID 166869708
(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylpyrrolidin-1-yl)borinic acid?
The IUPAC name of methyl-(2-methylpyrrolidin-1-yl)borinic acid (CID 158759430) is methyl-(2-methylpyrrolidin-1-yl)borinic acid.
What is the SMILES notation for methyl-(2-methylpyrrolidin-1-yl)borinic acid?
The canonical SMILES for methyl-(2-methylpyrrolidin-1-yl)borinic acid is CB(O)N1CCCC1C.
What is the InChIKey of methyl-(2-methylpyrrolidin-1-yl)borinic acid?
The InChIKey is ANBXTNAGSMMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BNO/c1-6-4-3-5-8(6)7(2)9/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl-(2-methylpyrrolidin-1-yl)borinic acid?
methyl-(2-methylpyrrolidin-1-yl)borinic acid has a molecular weight of 127.00 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylpyrrolidin-1-yl)borinic acid is sourced from PubChem (CID 158759430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).