CID 10805624

C17H22NSe — CID 10805624

IUPAC—
SMILESC=C=C(CC)C(/C([Se])=N/CCCC)c1ccccc1
InChIInChI=1S/C17H22NSe/c1-4-7-13-18-17(19)16(14(5-2)6-3)15-11-9-8-10-12-15/h8-12,16H,2,4,6-7,13H2,1,3H3/b18-17-
InChIKeyWICXLIKWGJGRJD-ZCXUNETKSA-N
MW319.33 g/mol
LogP4.26
Rot. Bonds7

About CID 10805624

CID 10805624 (PubChem CID 10805624) has the molecular formula C17H22NSe and a molecular weight of 319.33 g/mol.

Molecular Properties

Compound NameCID 10805624
PubChem CID10805624
Molecular FormulaC17H22NSe
Molecular Weight319.33 g/mol
Exact Mass320.09
IUPAC Name—
SMILESC=C=C(CC)C(/C([Se])=N/CCCC)c1ccccc1
InChIInChI=1S/C17H22NSe/c1-4-7-13-18-17(19)16(14(5-2)6-3)15-11-9-8-10-12-15/h8-12,16H,2,4,6-7,13H2,1,3H3/b18-17-
InChIKeyWICXLIKWGJGRJD-ZCXUNETKSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10805624?
The IUPAC name of CID 10805624 (CID 10805624) is not available.
What is the SMILES notation for CID 10805624?
The canonical SMILES for CID 10805624 is C=C=C(CC)C(/C([Se])=N/CCCC)c1ccccc1.
What is the InChIKey of CID 10805624?
The InChIKey is WICXLIKWGJGRJD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H22NSe/c1-4-7-13-18-17(19)16(14(5-2)6-3)15-11-9-8-10-12-15/h8-12,16H,2,4,6-7,13H2,1,3H3/b18-17-.
What are the key properties of CID 10805624?
CID 10805624 has a molecular weight of 319.33 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10805624 is sourced from PubChem (CID 10805624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).