CID 10465163

C6H10NOSe — CID 10465163

IUPAC—
SMILESCC(C)[C@H]1COC([Se])=N1
InChIInChI=1S/C6H10NOSe/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyYXCFNYLUXBBNTF-RXMQYKEDSA-N
MW191.11 g/mol
LogP0.57
Rot. Bonds1

About CID 10465163

CID 10465163 (PubChem CID 10465163) has the molecular formula C6H10NOSe and a molecular weight of 191.11 g/mol.

Molecular Properties

Compound NameCID 10465163
PubChem CID10465163
Molecular FormulaC6H10NOSe
Molecular Weight191.11 g/mol
Exact Mass191.99
IUPAC Name—
SMILESCC(C)[C@H]1COC([Se])=N1
InChIInChI=1S/C6H10NOSe/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyYXCFNYLUXBBNTF-RXMQYKEDSA-N
XLogP0.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 50.57
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 10465163?
The IUPAC name of CID 10465163 (CID 10465163) is not available.
What is the SMILES notation for CID 10465163?
The canonical SMILES for CID 10465163 is CC(C)[C@H]1COC([Se])=N1.
What is the InChIKey of CID 10465163?
The InChIKey is YXCFNYLUXBBNTF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10NOSe/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of CID 10465163?
CID 10465163 has a molecular weight of 191.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10465163 is sourced from PubChem (CID 10465163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).