CID 11224354

C24H32FeN2O2+2 — CID 11224354

IUPAC—
SMILESO=C(NC1CCCCC1)N(C(=O)[C]1[CH][CH][CH][CH]1)C1CCCCC1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C19H27N2O2.C5H5.Fe/c22-18(15-9-7-8-10-15)21(17-13-5-2-6-14-17)19(23)20-16-11-3-1-4-12-16;1-2-4-5-3-1;/h7-10,16-17H,1-6,11-14H2,(H,20,23);1-5H;/q;;+2
InChIKeyRZWITRJMHUMOQB-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.61
Rot. Bonds3

About CID 11224354

CID 11224354 (PubChem CID 11224354) has the molecular formula C24H32FeN2O2+2 and a molecular weight of 436.38 g/mol.

Molecular Properties

Compound NameCID 11224354
PubChem CID11224354
Molecular FormulaC24H32FeN2O2+2
Molecular Weight436.38 g/mol
Exact Mass436.18
IUPAC Name—
SMILESO=C(NC1CCCCC1)N(C(=O)[C]1[CH][CH][CH][CH]1)C1CCCCC1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C19H27N2O2.C5H5.Fe/c22-18(15-9-7-8-10-15)21(17-13-5-2-6-14-17)19(23)20-16-11-3-1-4-12-16;1-2-4-5-3-1;/h7-10,16-17H,1-6,11-14H2,(H,20,23);1-5H;/q;;+2
InChIKeyRZWITRJMHUMOQB-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.61
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 11224354?
The IUPAC name of CID 11224354 (CID 11224354) is not available.
What is the SMILES notation for CID 11224354?
The canonical SMILES for CID 11224354 is O=C(NC1CCCCC1)N(C(=O)[C]1[CH][CH][CH][CH]1)C1CCCCC1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11224354?
The InChIKey is RZWITRJMHUMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N2O2.C5H5.Fe/c22-18(15-9-7-8-10-15)21(17-13-5-2-6-14-17)19(23)20-16-11-3-1-4-12-16;1-2-4-5-3-1;/h7-10,16-17H,1-6,11-14H2,(H,20,23);1-5H;/q;;+2.
What are the key properties of CID 11224354?
CID 11224354 has a molecular weight of 436.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11224354 is sourced from PubChem (CID 11224354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).