CID 59101991

C7H7O2Se — CID 59101991

IUPAC—
SMILESO=C1CCCC(=O)C1=C[Se]
InChIInChI=1S/C7H7O2Se/c8-6-2-1-3-7(9)5(6)4-10/h4H,1-3H2
InChIKeyZNTSCHLEACQCSW-UHFFFAOYSA-N
MW202.09 g/mol
LogP0.36
Rot. Bonds

About CID 59101991

CID 59101991 (PubChem CID 59101991) has the molecular formula C7H7O2Se and a molecular weight of 202.09 g/mol.

Molecular Properties

Compound NameCID 59101991
PubChem CID59101991
Molecular FormulaC7H7O2Se
Molecular Weight202.09 g/mol
Exact Mass202.96
IUPAC Name—
SMILESO=C1CCCC(=O)C1=C[Se]
InChIInChI=1S/C7H7O2Se/c8-6-2-1-3-7(9)5(6)4-10/h4H,1-3H2
InChIKeyZNTSCHLEACQCSW-UHFFFAOYSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59101991?
The IUPAC name of CID 59101991 (CID 59101991) is not available.
What is the SMILES notation for CID 59101991?
The canonical SMILES for CID 59101991 is O=C1CCCC(=O)C1=C[Se].
What is the InChIKey of CID 59101991?
The InChIKey is ZNTSCHLEACQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2Se/c8-6-2-1-3-7(9)5(6)4-10/h4H,1-3H2.
What are the key properties of CID 59101991?
CID 59101991 has a molecular weight of 202.09 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59101991 is sourced from PubChem (CID 59101991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).