CID 10741471

C20H29FeNOSe+2 — CID 10741471

IUPAC—
SMILESCCC1OCC[C@H]1[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/C15H24NOSe.C5H5.Fe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4;1-2-4-5-3-1;/h6-8,11,13,15H,5,9-10H2,1-4H3;1-5H;/q;;+2/t11-,13?,15-;;/m1../s1
InChIKeyMPCTZBUVNXNAFA-BIMRFFIKSA-N
MW434.26 g/mol
LogP3.38
Rot. Bonds5

About CID 10741471

CID 10741471 (PubChem CID 10741471) has the molecular formula C20H29FeNOSe+2 and a molecular weight of 434.26 g/mol.

Molecular Properties

Compound NameCID 10741471
PubChem CID10741471
Molecular FormulaC20H29FeNOSe+2
Molecular Weight434.26 g/mol
Exact Mass435.08
IUPAC Name—
SMILESCCC1OCC[C@H]1[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/C15H24NOSe.C5H5.Fe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4;1-2-4-5-3-1;/h6-8,11,13,15H,5,9-10H2,1-4H3;1-5H;/q;;+2/t11-,13?,15-;;/m1../s1
InChIKeyMPCTZBUVNXNAFA-BIMRFFIKSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 53.38
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 10741471?
The IUPAC name of CID 10741471 (CID 10741471) is not available.
What is the SMILES notation for CID 10741471?
The canonical SMILES for CID 10741471 is CCC1OCC[C@H]1[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 10741471?
The InChIKey is MPCTZBUVNXNAFA-BIMRFFIKSA-N. The full InChI is InChI=1S/C15H24NOSe.C5H5.Fe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4;1-2-4-5-3-1;/h6-8,11,13,15H,5,9-10H2,1-4H3;1-5H;/q;;+2/t11-,13?,15-;;/m1../s1.
What are the key properties of CID 10741471?
CID 10741471 has a molecular weight of 434.26 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10741471 is sourced from PubChem (CID 10741471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).