CID 10013197

C7H12NOSe — CID 10013197

IUPAC—
SMILESCC(C)C[C@H]1COC([Se])=N1
InChIInChI=1S/C7H12NOSe/c1-5(2)3-6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyXCYYXNKYFYLXDH-LURJTMIESA-N
MW205.14 g/mol
LogP0.96
Rot. Bonds2

About CID 10013197

CID 10013197 (PubChem CID 10013197) has the molecular formula C7H12NOSe and a molecular weight of 205.14 g/mol.

Molecular Properties

Compound NameCID 10013197
PubChem CID10013197
Molecular FormulaC7H12NOSe
Molecular Weight205.14 g/mol
Exact Mass206.01
IUPAC Name—
SMILESCC(C)C[C@H]1COC([Se])=N1
InChIInChI=1S/C7H12NOSe/c1-5(2)3-6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyXCYYXNKYFYLXDH-LURJTMIESA-N
XLogP0.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.96
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 10013197?
The IUPAC name of CID 10013197 (CID 10013197) is not available.
What is the SMILES notation for CID 10013197?
The canonical SMILES for CID 10013197 is CC(C)C[C@H]1COC([Se])=N1.
What is the InChIKey of CID 10013197?
The InChIKey is XCYYXNKYFYLXDH-LURJTMIESA-N. The full InChI is InChI=1S/C7H12NOSe/c1-5(2)3-6-4-9-7(10)8-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of CID 10013197?
CID 10013197 has a molecular weight of 205.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10013197 is sourced from PubChem (CID 10013197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).