CID 10550774

C20H29FeNOSe+2 — CID 10550774

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se][C@@H]1CCCC[C@H]1O)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H24NOSe.C5H5.Fe/c1-11(16(2)3)12-7-6-10-14(12)18-15-9-5-4-8-13(15)17;1-2-4-5-3-1;/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3;1-5H;/q;;+2/t11-,13+,15+;;/m0../s1
InChIKeyQPPGXPFAFIUBTE-SHQCMSBESA-N
MW434.26 g/mol
LogP3.12
Rot. Bonds4

About CID 10550774

CID 10550774 (PubChem CID 10550774) has the molecular formula C20H29FeNOSe+2 and a molecular weight of 434.26 g/mol.

Molecular Properties

Compound NameCID 10550774
PubChem CID10550774
Molecular FormulaC20H29FeNOSe+2
Molecular Weight434.26 g/mol
Exact Mass435.08
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se][C@@H]1CCCC[C@H]1O)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H24NOSe.C5H5.Fe/c1-11(16(2)3)12-7-6-10-14(12)18-15-9-5-4-8-13(15)17;1-2-4-5-3-1;/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3;1-5H;/q;;+2/t11-,13+,15+;;/m0../s1
InChIKeyQPPGXPFAFIUBTE-SHQCMSBESA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
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 10550774?
The IUPAC name of CID 10550774 (CID 10550774) is not available.
What is the SMILES notation for CID 10550774?
The canonical SMILES for CID 10550774 is C[C@@H]([C]1[CH][CH][CH][C]1[Se][C@@H]1CCCC[C@H]1O)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10550774?
The InChIKey is QPPGXPFAFIUBTE-SHQCMSBESA-N. The full InChI is InChI=1S/C15H24NOSe.C5H5.Fe/c1-11(16(2)3)12-7-6-10-14(12)18-15-9-5-4-8-13(15)17;1-2-4-5-3-1;/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3;1-5H;/q;;+2/t11-,13+,15+;;/m0../s1.
What are the key properties of CID 10550774?
CID 10550774 has a molecular weight of 434.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10550774 is sourced from PubChem (CID 10550774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).