3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride

C11H23BClNO2 — CID 155977898

IUPAC3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride
SMILESCC1(B2OC(C)(C)C(C)(C)O2)CCNC1.Cl
InChIInChI=1S/C11H22BNO2.ClH/c1-9(2)10(3,4)15-12(14-9)11(5)6-7-13-8-11;/h13H,6-8H2,1-5H3;1H
InChIKeyNQQQRCSXPIBHRH-UHFFFAOYSA-N
MW247.57 g/mol
LogP2.25
Rot. Bonds1

About 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride

3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride (PubChem CID 155977898) has the molecular formula C11H23BClNO2 and a molecular weight of 247.57 g/mol. Its IUPAC name is 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride
PubChem CID155977898
Molecular FormulaC11H23BClNO2
Molecular Weight247.57 g/mol
Exact Mass247.15
IUPAC Name3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride
SMILESCC1(B2OC(C)(C)C(C)(C)O2)CCNC1.Cl
InChIInChI=1S/C11H22BNO2.ClH/c1-9(2)10(3,4)15-12(14-9)11(5)6-7-13-8-11;/h13H,6-8H2,1-5H3;1H
InChIKeyNQQQRCSXPIBHRH-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.57
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
CID 154713253
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
(3S)-3-methoxy-3-methylpyrrolidine
CID 98774544
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
CID 53216775
2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155973440
6,6-dimethyl-1,4-diazocane
CID 139442519
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 105443984
4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
CID 155859006
3,3,5,5-tetramethylazepane
CID 54129538
4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
CID 155930629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride (CID 155977898) is 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride is CC1(B2OC(C)(C)C(C)(C)O2)CCNC1.Cl.
What is the InChIKey of 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride?
The InChIKey is NQQQRCSXPIBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNO2.ClH/c1-9(2)10(3,4)15-12(14-9)11(5)6-7-13-8-11;/h13H,6-8H2,1-5H3;1H.
What are the key properties of 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride?
3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride has a molecular weight of 247.57 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).