CID 87108439

C7H14NOSe — CID 87108439

IUPAC—
SMILESCCCN(CCC)C(=O)[Se]
InChIInChI=1S/C7H14NOSe/c1-3-5-8(6-4-2)7(9)10/h3-6H2,1-2H3
InChIKeyYMZQFLFLZUABHF-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.40
Rot. Bonds4

About CID 87108439

CID 87108439 (PubChem CID 87108439) has the molecular formula C7H14NOSe and a molecular weight of 207.15 g/mol.

Molecular Properties

Compound NameCID 87108439
PubChem CID87108439
Molecular FormulaC7H14NOSe
Molecular Weight207.15 g/mol
Exact Mass208.02
IUPAC Name—
SMILESCCCN(CCC)C(=O)[Se]
InChIInChI=1S/C7H14NOSe/c1-3-5-8(6-4-2)7(9)10/h3-6H2,1-2H3
InChIKeyYMZQFLFLZUABHF-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.40
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 87108439?
The IUPAC name of CID 87108439 (CID 87108439) is not available.
What is the SMILES notation for CID 87108439?
The canonical SMILES for CID 87108439 is CCCN(CCC)C(=O)[Se].
What is the InChIKey of CID 87108439?
The InChIKey is YMZQFLFLZUABHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NOSe/c1-3-5-8(6-4-2)7(9)10/h3-6H2,1-2H3.
What are the key properties of CID 87108439?
CID 87108439 has a molecular weight of 207.15 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87108439 is sourced from PubChem (CID 87108439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).