CID 145182120

C6H11BIN — CID 145182120

IUPAC—
SMILES[B]C1(CCI)CCN1C
InChIInChI=1S/C6H11BIN/c1-9-5-3-6(9,7)2-4-8/h2-5H2,1H3
InChIKeyMFNMGPZJSIGBMT-UHFFFAOYSA-N
MW234.88 g/mol
LogP1.01
Rot. Bonds2

About CID 145182120

CID 145182120 (PubChem CID 145182120) has the molecular formula C6H11BIN and a molecular weight of 234.88 g/mol.

Molecular Properties

Compound NameCID 145182120
PubChem CID145182120
Molecular FormulaC6H11BIN
Molecular Weight234.88 g/mol
Exact Mass235.00
IUPAC Name—
SMILES[B]C1(CCI)CCN1C
InChIInChI=1S/C6H11BIN/c1-9-5-3-6(9,7)2-4-8/h2-5H2,1H3
InChIKeyMFNMGPZJSIGBMT-UHFFFAOYSA-N
XLogP1.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.88
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145182120?
The IUPAC name of CID 145182120 (CID 145182120) is not available.
What is the SMILES notation for CID 145182120?
The canonical SMILES for CID 145182120 is [B]C1(CCI)CCN1C.
What is the InChIKey of CID 145182120?
The InChIKey is MFNMGPZJSIGBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BIN/c1-9-5-3-6(9,7)2-4-8/h2-5H2,1H3.
What are the key properties of CID 145182120?
CID 145182120 has a molecular weight of 234.88 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145182120 is sourced from PubChem (CID 145182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).