CID 10526134

C19H27FeNOSe+2 — CID 10526134

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se]C[C@@H]1CCCO1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H22NOSe.C5H5.Fe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12;1-2-4-5-3-1;/h4,7-8,11-12H,5-6,9-10H2,1-3H3;1-5H;/q;;+2/t11-,12-;;/m0../s1
InChIKeyDCSAFSDTEYLZPD-AQEKLAMFSA-N
MW420.24 g/mol
LogP2.99
Rot. Bonds5

About CID 10526134

CID 10526134 (PubChem CID 10526134) has the molecular formula C19H27FeNOSe+2 and a molecular weight of 420.24 g/mol.

Molecular Properties

Compound NameCID 10526134
PubChem CID10526134
Molecular FormulaC19H27FeNOSe+2
Molecular Weight420.24 g/mol
Exact Mass421.06
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se]C[C@@H]1CCCO1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H22NOSe.C5H5.Fe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12;1-2-4-5-3-1;/h4,7-8,11-12H,5-6,9-10H2,1-3H3;1-5H;/q;;+2/t11-,12-;;/m0../s1
InChIKeyDCSAFSDTEYLZPD-AQEKLAMFSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 52.99
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 10526134?
The IUPAC name of CID 10526134 (CID 10526134) is not available.
What is the SMILES notation for CID 10526134?
The canonical SMILES for CID 10526134 is C[C@@H]([C]1[CH][CH][CH][C]1[Se]C[C@@H]1CCCO1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10526134?
The InChIKey is DCSAFSDTEYLZPD-AQEKLAMFSA-N. The full InChI is InChI=1S/C14H22NOSe.C5H5.Fe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12;1-2-4-5-3-1;/h4,7-8,11-12H,5-6,9-10H2,1-3H3;1-5H;/q;;+2/t11-,12-;;/m0../s1.
What are the key properties of CID 10526134?
CID 10526134 has a molecular weight of 420.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10526134 is sourced from PubChem (CID 10526134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).