CID 160808329

C6H12NSe — CID 160808329

IUPAC—
SMILES[H]/[Se]=C1\CCCCCN1
InChIInChI=1S/C6H12NSe/c8-6-4-2-1-3-5-7-6/h7-8H,1-5H2
InChIKeyABXCLIHMAHLMSK-UHFFFAOYSA-N
MW177.13 g/mol
LogP0.18
Rot. Bonds

About CID 160808329

CID 160808329 (PubChem CID 160808329) has the molecular formula C6H12NSe and a molecular weight of 177.13 g/mol.

Molecular Properties

Compound NameCID 160808329
PubChem CID160808329
Molecular FormulaC6H12NSe
Molecular Weight177.13 g/mol
Exact Mass178.01
IUPAC Name—
SMILES[H]/[Se]=C1\CCCCCN1
InChIInChI=1S/C6H12NSe/c8-6-4-2-1-3-5-7-6/h7-8H,1-5H2
InChIKeyABXCLIHMAHLMSK-UHFFFAOYSA-N
XLogP0.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 50.18
H-Bond Donors ≤ 51
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 160808329?
The IUPAC name of CID 160808329 (CID 160808329) is not available.
What is the SMILES notation for CID 160808329?
The canonical SMILES for CID 160808329 is [H]/[Se]=C1\CCCCCN1.
What is the InChIKey of CID 160808329?
The InChIKey is ABXCLIHMAHLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NSe/c8-6-4-2-1-3-5-7-6/h7-8H,1-5H2.
What are the key properties of CID 160808329?
CID 160808329 has a molecular weight of 177.13 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160808329 is sourced from PubChem (CID 160808329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).