CID 70306749

C7H11BNO2 — CID 70306749

IUPAC—
SMILESCO[B]N1C(=O)C2CCC1C2
InChIInChI=1S/C7H11BNO2/c1-11-8-9-6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3
InChIKeyZVIRYFVUPUZABA-UHFFFAOYSA-N
MW151.98 g/mol
LogP0.18
Rot. Bonds2

About CID 70306749

CID 70306749 (PubChem CID 70306749) has the molecular formula C7H11BNO2 and a molecular weight of 151.98 g/mol.

Molecular Properties

Compound NameCID 70306749
PubChem CID70306749
Molecular FormulaC7H11BNO2
Molecular Weight151.98 g/mol
Exact Mass152.09
IUPAC Name—
SMILESCO[B]N1C(=O)C2CCC1C2
InChIInChI=1S/C7H11BNO2/c1-11-8-9-6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3
InChIKeyZVIRYFVUPUZABA-UHFFFAOYSA-N
XLogP0.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.98
LogP ≤ 50.18
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 CID 70306749?
The IUPAC name of CID 70306749 (CID 70306749) is not available.
What is the SMILES notation for CID 70306749?
The canonical SMILES for CID 70306749 is CO[B]N1C(=O)C2CCC1C2.
What is the InChIKey of CID 70306749?
The InChIKey is ZVIRYFVUPUZABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BNO2/c1-11-8-9-6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3.
What are the key properties of CID 70306749?
CID 70306749 has a molecular weight of 151.98 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70306749 is sourced from PubChem (CID 70306749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).