CID 174135156

C7H10BN — CID 174135156

IUPAC—
SMILES[B]/C(C)=C/C=C(/C)N=C
InChIInChI=1S/C7H10BN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-
InChIKeyIUICWPPNLPNDMY-GUBXDBFYSA-N
MW118.98 g/mol
LogP1.66
Rot. Bonds2

About CID 174135156

CID 174135156 (PubChem CID 174135156) has the molecular formula C7H10BN and a molecular weight of 118.98 g/mol.

Molecular Properties

Compound NameCID 174135156
PubChem CID174135156
Molecular FormulaC7H10BN
Molecular Weight118.98 g/mol
Exact Mass119.09
IUPAC Name—
SMILES[B]/C(C)=C/C=C(/C)N=C
InChIInChI=1S/C7H10BN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-
InChIKeyIUICWPPNLPNDMY-GUBXDBFYSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.98
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174135156?
The IUPAC name of CID 174135156 (CID 174135156) is not available.
What is the SMILES notation for CID 174135156?
The canonical SMILES for CID 174135156 is [B]/C(C)=C/C=C(/C)N=C.
What is the InChIKey of CID 174135156?
The InChIKey is IUICWPPNLPNDMY-GUBXDBFYSA-N. The full InChI is InChI=1S/C7H10BN/c1-6(8)4-5-7(2)9-3/h4-5H,3H2,1-2H3/b6-4+,7-5-.
What are the key properties of CID 174135156?
CID 174135156 has a molecular weight of 118.98 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135156 is sourced from PubChem (CID 174135156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).