CID 12981030

C5H9N2Se — CID 12981030

IUPAC—
SMILESCCN1CCN=C1[Se]
InChIInChI=1S/C5H9N2Se/c1-2-7-4-3-6-5(7)8/h2-4H2,1H3
InChIKeyJGPFEXGYIHQNHZ-UHFFFAOYSA-N
MW176.10 g/mol
LogP-0.15
Rot. Bonds1

About CID 12981030

CID 12981030 (PubChem CID 12981030) has the molecular formula C5H9N2Se and a molecular weight of 176.10 g/mol.

Molecular Properties

Compound NameCID 12981030
PubChem CID12981030
Molecular FormulaC5H9N2Se
Molecular Weight176.10 g/mol
Exact Mass176.99
IUPAC Name—
SMILESCCN1CCN=C1[Se]
InChIInChI=1S/C5H9N2Se/c1-2-7-4-3-6-5(7)8/h2-4H2,1H3
InChIKeyJGPFEXGYIHQNHZ-UHFFFAOYSA-N
XLogP-0.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 12981030?
The IUPAC name of CID 12981030 (CID 12981030) is not available.
What is the SMILES notation for CID 12981030?
The canonical SMILES for CID 12981030 is CCN1CCN=C1[Se].
What is the InChIKey of CID 12981030?
The InChIKey is JGPFEXGYIHQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2Se/c1-2-7-4-3-6-5(7)8/h2-4H2,1H3.
What are the key properties of CID 12981030?
CID 12981030 has a molecular weight of 176.10 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12981030 is sourced from PubChem (CID 12981030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).