CID 177173282

C6H10BN2 — CID 177173282

IUPAC—
SMILESCN1CCC(C#N)C1.[B]
InChIInChI=1S/C6H10N2.B/c1-8-3-2-6(4-7)5-8;/h6H,2-3,5H2,1H3;
InChIKeyIUYAVTRMLQBVEX-UHFFFAOYSA-N
MW120.97 g/mol
LogP0.08
Rot. Bonds

About CID 177173282

CID 177173282 (PubChem CID 177173282) has the molecular formula C6H10BN2 and a molecular weight of 120.97 g/mol.

Molecular Properties

Compound NameCID 177173282
PubChem CID177173282
Molecular FormulaC6H10BN2
Molecular Weight120.97 g/mol
Exact Mass121.09
IUPAC Name—
SMILESCN1CCC(C#N)C1.[B]
InChIInChI=1S/C6H10N2.B/c1-8-3-2-6(4-7)5-8;/h6H,2-3,5H2,1H3;
InChIKeyIUYAVTRMLQBVEX-UHFFFAOYSA-N
XLogP0.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.97
LogP ≤ 50.08
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 177173282?
The IUPAC name of CID 177173282 (CID 177173282) is not available.
What is the SMILES notation for CID 177173282?
The canonical SMILES for CID 177173282 is CN1CCC(C#N)C1.[B].
What is the InChIKey of CID 177173282?
The InChIKey is IUYAVTRMLQBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.B/c1-8-3-2-6(4-7)5-8;/h6H,2-3,5H2,1H3;.
What are the key properties of CID 177173282?
CID 177173282 has a molecular weight of 120.97 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177173282 is sourced from PubChem (CID 177173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).