CID 14717765

C9H18NOSe — CID 14717765

IUPAC—
SMILESCCCCN(CCCC)C(=O)[Se]
InChIInChI=1S/C9H18NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3
InChIKeyKJUAJICGUBTJMB-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.18
Rot. Bonds6

About CID 14717765

CID 14717765 (PubChem CID 14717765) has the molecular formula C9H18NOSe and a molecular weight of 235.21 g/mol.

Molecular Properties

Compound NameCID 14717765
PubChem CID14717765
Molecular FormulaC9H18NOSe
Molecular Weight235.21 g/mol
Exact Mass236.06
IUPAC Name—
SMILESCCCCN(CCCC)C(=O)[Se]
InChIInChI=1S/C9H18NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3
InChIKeyKJUAJICGUBTJMB-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 14717765?
The IUPAC name of CID 14717765 (CID 14717765) is not available.
What is the SMILES notation for CID 14717765?
The canonical SMILES for CID 14717765 is CCCCN(CCCC)C(=O)[Se].
What is the InChIKey of CID 14717765?
The InChIKey is KJUAJICGUBTJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of CID 14717765?
CID 14717765 has a molecular weight of 235.21 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14717765 is sourced from PubChem (CID 14717765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).