CID 10574218

C19H29FeNOSe+2 — CID 10574218

IUPAC—
SMILESCO[C@H](C)[C@H](C)[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H24NOSe.C5H5.Fe/c1-10(15(4)5)13-8-7-9-14(13)17-12(3)11(2)16-6;1-2-4-5-3-1;/h7-12H,1-6H3;1-5H;/q;;+2/t10-,11-,12+;;/m1../s1
InChIKeyOLPJDPBUAXKLND-OUOKZVDWSA-N
MW422.25 g/mol
LogP3.24
Rot. Bonds6

About CID 10574218

CID 10574218 (PubChem CID 10574218) has the molecular formula C19H29FeNOSe+2 and a molecular weight of 422.25 g/mol.

Molecular Properties

Compound NameCID 10574218
PubChem CID10574218
Molecular FormulaC19H29FeNOSe+2
Molecular Weight422.25 g/mol
Exact Mass423.08
IUPAC Name—
SMILESCO[C@H](C)[C@H](C)[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H24NOSe.C5H5.Fe/c1-10(15(4)5)13-8-7-9-14(13)17-12(3)11(2)16-6;1-2-4-5-3-1;/h7-12H,1-6H3;1-5H;/q;;+2/t10-,11-,12+;;/m1../s1
InChIKeyOLPJDPBUAXKLND-OUOKZVDWSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.24
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 10574218?
The IUPAC name of CID 10574218 (CID 10574218) is not available.
What is the SMILES notation for CID 10574218?
The canonical SMILES for CID 10574218 is CO[C@H](C)[C@H](C)[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10574218?
The InChIKey is OLPJDPBUAXKLND-OUOKZVDWSA-N. The full InChI is InChI=1S/C14H24NOSe.C5H5.Fe/c1-10(15(4)5)13-8-7-9-14(13)17-12(3)11(2)16-6;1-2-4-5-3-1;/h7-12H,1-6H3;1-5H;/q;;+2/t10-,11-,12+;;/m1../s1.
What are the key properties of CID 10574218?
CID 10574218 has a molecular weight of 422.25 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10574218 is sourced from PubChem (CID 10574218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).