CID 176950935

C7H15BNO — CID 176950935

IUPAC—
SMILESC.O=C1CCCCCN1.[B]
InChIInChI=1S/C6H11NO.CH4.B/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H4;
InChIKeyXZYSOOMPTAZCPI-UHFFFAOYSA-N
MW140.02 g/mol
LogP0.93
Rot. Bonds

About CID 176950935

CID 176950935 (PubChem CID 176950935) has the molecular formula C7H15BNO and a molecular weight of 140.02 g/mol.

Molecular Properties

Compound NameCID 176950935
PubChem CID176950935
Molecular FormulaC7H15BNO
Molecular Weight140.02 g/mol
Exact Mass140.12
IUPAC Name—
SMILESC.O=C1CCCCCN1.[B]
InChIInChI=1S/C6H11NO.CH4.B/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H4;
InChIKeyXZYSOOMPTAZCPI-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.02
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 176950935?
The IUPAC name of CID 176950935 (CID 176950935) is not available.
What is the SMILES notation for CID 176950935?
The canonical SMILES for CID 176950935 is C.O=C1CCCCCN1.[B].
What is the InChIKey of CID 176950935?
The InChIKey is XZYSOOMPTAZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.CH4.B/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H4;.
What are the key properties of CID 176950935?
CID 176950935 has a molecular weight of 140.02 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176950935 is sourced from PubChem (CID 176950935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).