1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine

C11H14BNO2 — CID 132526332

IUPAC1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine
SMILESOB1OCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C11H14BNO2/c14-12-11-7-10(13-5-1-2-6-13)4-3-9(11)8-15-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyVHTREXIKEDLOHH-UHFFFAOYSA-N
MW203.05 g/mol
LogP0.50
Rot. Bonds1

About 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine

1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine (PubChem CID 132526332) has the molecular formula C11H14BNO2 and a molecular weight of 203.05 g/mol. Its IUPAC name is 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine
PubChem CID132526332
Molecular FormulaC11H14BNO2
Molecular Weight203.05 g/mol
Exact Mass203.11
IUPAC Name1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine
SMILESOB1OCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C11H14BNO2/c14-12-11-7-10(13-5-1-2-6-13)4-3-9(11)8-15-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyVHTREXIKEDLOHH-UHFFFAOYSA-N
XLogP0.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 50.50
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

N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-N-methylacetamide
CID 58404201
1-hydroxy-3H-2,1-benzoxaborole;hydrochloride
CID 140657530
1-(3,4-dihydro-1H-isochromen-6-yl)pyrrolidine
CID 11171704
[4-(aminomethyl)phenyl]-[1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrol-3-yl]methanone
CID 90676665
1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole
CID 157201026
5,6-difluoro-1-hydroxy-3H-2,1-benzoxaborole
CID 11845752
1-(3,4-dihydro-1H-isochromen-6-yl)piperidine
CID 175887953
carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)
CID 162297367
ethane;S-methyl 1-hydroxy-3H-2,1-benzoxaborole-6-carbothioate
CID 163369772
1-hydroxy-5-methyl-3,7-dihydrooxaborolo[3,4-f][2,1]benzoxaborole
CID 59420255
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine?
The IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine (CID 132526332) is 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine.
What is the SMILES notation for 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine?
The canonical SMILES for 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine is OB1OCc2ccc(N3CCCC3)cc21.
What is the InChIKey of 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine?
The InChIKey is VHTREXIKEDLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BNO2/c14-12-11-7-10(13-5-1-2-6-13)4-3-9(11)8-15-12/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine?
1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine has a molecular weight of 203.05 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrolidine is sourced from PubChem (CID 132526332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).