CID 174856842

C6H11BNO — CID 174856842

IUPAC—
SMILESCN1CCCCC1=O.[B]
InChIInChI=1S/C6H11NO.B/c1-7-5-3-2-4-6(7)8;/h2-5H2,1H3;
InChIKeyFJYXCYZIKPEFFP-UHFFFAOYSA-N
MW123.97 g/mol
LogP0.25
Rot. Bonds

About CID 174856842

CID 174856842 (PubChem CID 174856842) has the molecular formula C6H11BNO and a molecular weight of 123.97 g/mol.

Molecular Properties

Compound NameCID 174856842
PubChem CID174856842
Molecular FormulaC6H11BNO
Molecular Weight123.97 g/mol
Exact Mass124.09
IUPAC Name—
SMILESCN1CCCCC1=O.[B]
InChIInChI=1S/C6H11NO.B/c1-7-5-3-2-4-6(7)8;/h2-5H2,1H3;
InChIKeyFJYXCYZIKPEFFP-UHFFFAOYSA-N
XLogP0.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.97
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 174856842?
The IUPAC name of CID 174856842 (CID 174856842) is not available.
What is the SMILES notation for CID 174856842?
The canonical SMILES for CID 174856842 is CN1CCCCC1=O.[B].
What is the InChIKey of CID 174856842?
The InChIKey is FJYXCYZIKPEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.B/c1-7-5-3-2-4-6(7)8;/h2-5H2,1H3;.
What are the key properties of CID 174856842?
CID 174856842 has a molecular weight of 123.97 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174856842 is sourced from PubChem (CID 174856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).