CID 11797074

C15H24NOSe — CID 11797074

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCCO1)N(C)C
InChIInChI=1S/C15H24NOSe/c1-12(16(2)3)14-8-6-9-15(14)18-11-13-7-4-5-10-17-13/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyORSORQWDXUZNFS-CHWSQXEVSA-N
MW313.32 g/mol
LogP2.36
Rot. Bonds5

About CID 11797074

CID 11797074 (PubChem CID 11797074) has the molecular formula C15H24NOSe and a molecular weight of 313.32 g/mol.

Molecular Properties

Compound NameCID 11797074
PubChem CID11797074
Molecular FormulaC15H24NOSe
Molecular Weight313.32 g/mol
Exact Mass314.10
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCCO1)N(C)C
InChIInChI=1S/C15H24NOSe/c1-12(16(2)3)14-8-6-9-15(14)18-11-13-7-4-5-10-17-13/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyORSORQWDXUZNFS-CHWSQXEVSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.36
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 11797074?
The IUPAC name of CID 11797074 (CID 11797074) is not available.
What is the SMILES notation for CID 11797074?
The canonical SMILES for CID 11797074 is C[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCCO1)N(C)C.
What is the InChIKey of CID 11797074?
The InChIKey is ORSORQWDXUZNFS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24NOSe/c1-12(16(2)3)14-8-6-9-15(14)18-11-13-7-4-5-10-17-13/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of CID 11797074?
CID 11797074 has a molecular weight of 313.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11797074 is sourced from PubChem (CID 11797074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).