CID 89383615

C6H10BN — CID 89383615

IUPAC—
SMILES[B]/C(C)=C\C=C/NC
InChIInChI=1S/C6H10BN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4-
InChIKeyXMKVVHQLBAOZFC-GLIMQPGKSA-N
MW106.97 g/mol
LogP0.79
Rot. Bonds2

About CID 89383615

CID 89383615 (PubChem CID 89383615) has the molecular formula C6H10BN and a molecular weight of 106.97 g/mol.

Molecular Properties

Compound NameCID 89383615
PubChem CID89383615
Molecular FormulaC6H10BN
Molecular Weight106.97 g/mol
Exact Mass107.09
IUPAC Name—
SMILES[B]/C(C)=C\C=C/NC
InChIInChI=1S/C6H10BN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4-
InChIKeyXMKVVHQLBAOZFC-GLIMQPGKSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.97
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89383615?
The IUPAC name of CID 89383615 (CID 89383615) is not available.
What is the SMILES notation for CID 89383615?
The canonical SMILES for CID 89383615 is [B]/C(C)=C\C=C/NC.
What is the InChIKey of CID 89383615?
The InChIKey is XMKVVHQLBAOZFC-GLIMQPGKSA-N. The full InChI is InChI=1S/C6H10BN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4-.
What are the key properties of CID 89383615?
CID 89383615 has a molecular weight of 106.97 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89383615 is sourced from PubChem (CID 89383615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).