CID 10550043

C14H22NOSe — CID 10550043

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCO1)N(C)C
InChIInChI=1S/C14H22NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyJJEHHCWZGGFUTG-VXGBXAGGSA-N
MW299.30 g/mol
LogP1.97
Rot. Bonds5

About CID 10550043

CID 10550043 (PubChem CID 10550043) has the molecular formula C14H22NOSe and a molecular weight of 299.30 g/mol.

Molecular Properties

Compound NameCID 10550043
PubChem CID10550043
Molecular FormulaC14H22NOSe
Molecular Weight299.30 g/mol
Exact Mass300.09
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCO1)N(C)C
InChIInChI=1S/C14H22NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyJJEHHCWZGGFUTG-VXGBXAGGSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.97
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 10550043?
The IUPAC name of CID 10550043 (CID 10550043) is not available.
What is the SMILES notation for CID 10550043?
The canonical SMILES for CID 10550043 is C[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]1CCCO1)N(C)C.
What is the InChIKey of CID 10550043?
The InChIKey is JJEHHCWZGGFUTG-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of CID 10550043?
CID 10550043 has a molecular weight of 299.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10550043 is sourced from PubChem (CID 10550043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).