CID 10550042

C19H27FeNOSe+2 — CID 10550042

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-;;/m1../s1
InChIKeyDCSAFSDTEYLZPD-MBORUXJMSA-N
MW420.24 g/mol
LogP2.99
Rot. Bonds5

About CID 10550042

CID 10550042 (PubChem CID 10550042) has the molecular formula C19H27FeNOSe+2 and a molecular weight of 420.24 g/mol.

Molecular Properties

Compound NameCID 10550042
PubChem CID10550042
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-;;/m1../s1
InChIKeyDCSAFSDTEYLZPD-MBORUXJMSA-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 10550042?
The IUPAC name of CID 10550042 (CID 10550042) is not available.
What is the SMILES notation for CID 10550042?
The canonical SMILES for CID 10550042 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 10550042?
The InChIKey is DCSAFSDTEYLZPD-MBORUXJMSA-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-;;/m1../s1.
What are the key properties of CID 10550042?
CID 10550042 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 10550042 is sourced from PubChem (CID 10550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).