CID 174083198

C11H15B2N — CID 174083198

IUPAC—
SMILES[B]C([B])(C1=CC(C)C=C1)N1CCCC1
InChIInChI=1S/C11H15B2N/c1-9-4-5-10(8-9)11(12,13)14-6-2-3-7-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyVKWWNGHXWOXMCG-UHFFFAOYSA-N
MW182.87 g/mol
LogP1.21
Rot. Bonds2

About CID 174083198

CID 174083198 (PubChem CID 174083198) has the molecular formula C11H15B2N and a molecular weight of 182.87 g/mol.

Molecular Properties

Compound NameCID 174083198
PubChem CID174083198
Molecular FormulaC11H15B2N
Molecular Weight182.87 g/mol
Exact Mass183.14
IUPAC Name—
SMILES[B]C([B])(C1=CC(C)C=C1)N1CCCC1
InChIInChI=1S/C11H15B2N/c1-9-4-5-10(8-9)11(12,13)14-6-2-3-7-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyVKWWNGHXWOXMCG-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.87
LogP ≤ 51.21
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 174083198?
The IUPAC name of CID 174083198 (CID 174083198) is not available.
What is the SMILES notation for CID 174083198?
The canonical SMILES for CID 174083198 is [B]C([B])(C1=CC(C)C=C1)N1CCCC1.
What is the InChIKey of CID 174083198?
The InChIKey is VKWWNGHXWOXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15B2N/c1-9-4-5-10(8-9)11(12,13)14-6-2-3-7-14/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of CID 174083198?
CID 174083198 has a molecular weight of 182.87 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174083198 is sourced from PubChem (CID 174083198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).