tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane

C18H20B2NO — CID 18173722

IUPAC—
SMILESCB1OC(c2ccccc2)(c2ccccc2)C2CCCN12.[B]
InChIInChI=1S/C18H20BNO.B/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2-7,9-12,17H,8,13-14H2,1H3;
InChIKeyDSBVFNLVDMKVOO-UHFFFAOYSA-N
MW287.99 g/mol
LogP3.16
Rot. Bonds2

About tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane

tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane (PubChem CID 18173722) has the molecular formula C18H20B2NO and a molecular weight of 287.99 g/mol.

Molecular Properties

Compound Nametetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane
PubChem CID18173722
Molecular FormulaC18H20B2NO
Molecular Weight287.99 g/mol
Exact Mass288.17
IUPAC Name—
SMILESCB1OC(c2ccccc2)(c2ccccc2)C2CCCN12.[B]
InChIInChI=1S/C18H20BNO.B/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2-7,9-12,17H,8,13-14H2,1H3;
InChIKeyDSBVFNLVDMKVOO-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.99
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane?
The IUPAC name of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane (CID 18173722) is not available.
What is the SMILES notation for tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane?
The canonical SMILES for tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane is CB1OC(c2ccccc2)(c2ccccc2)C2CCCN12.[B].
What is the InChIKey of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane?
The InChIKey is DSBVFNLVDMKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BNO.B/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2-7,9-12,17H,8,13-14H2,1H3;.
What are the key properties of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane?
tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane has a molecular weight of 287.99 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole borane is sourced from PubChem (CID 18173722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).