CID 88572274

C11H22BNO — CID 88572274

IUPAC—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1C
InChIInChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8?,9-,10-,11+/m1/s1
InChIKeyDLWRVRBZIPAUTD-OCPDBYLZSA-N
MW195.11 g/mol
LogP1.67
Rot. Bonds4

About CID 88572274

CID 88572274 (PubChem CID 88572274) has the molecular formula C11H22BNO and a molecular weight of 195.11 g/mol.

Molecular Properties

Compound NameCID 88572274
PubChem CID88572274
Molecular FormulaC11H22BNO
Molecular Weight195.11 g/mol
Exact Mass195.18
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1C
InChIInChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8?,9-,10-,11+/m1/s1
InChIKeyDLWRVRBZIPAUTD-OCPDBYLZSA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 CID 88572274?
The IUPAC name of CID 88572274 (CID 88572274) is not available.
What is the SMILES notation for CID 88572274?
The canonical SMILES for CID 88572274 is [B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1C.
What is the InChIKey of CID 88572274?
The InChIKey is DLWRVRBZIPAUTD-OCPDBYLZSA-N. The full InChI is InChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8?,9-,10-,11+/m1/s1.
What are the key properties of CID 88572274?
CID 88572274 has a molecular weight of 195.11 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572274 is sourced from PubChem (CID 88572274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).