CID 10809024

C20H28FeN2O+2 — CID 10809024

IUPAC—
SMILESCOC[C@@H]1CCCN1/N=C(\[C]1[CH][CH][CH][CH]1)C(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H23N2O.C5H5.Fe/c1-12(2)15(13-7-4-5-8-13)16-17-10-6-9-14(17)11-18-3;1-2-4-5-3-1;/h4-5,7-8,12,14H,6,9-11H2,1-3H3;1-5H;/q;;+2/b16-15-;;/t14-;;/m0../s1
InChIKeyQUSPWWMMNKYKRN-GJSHEOMYSA-N
MW368.30 g/mol
LogP3.53
Rot. Bonds5

About CID 10809024

CID 10809024 (PubChem CID 10809024) has the molecular formula C20H28FeN2O+2 and a molecular weight of 368.30 g/mol.

Molecular Properties

Compound NameCID 10809024
PubChem CID10809024
Molecular FormulaC20H28FeN2O+2
Molecular Weight368.30 g/mol
Exact Mass368.15
IUPAC Name—
SMILESCOC[C@@H]1CCCN1/N=C(\[C]1[CH][CH][CH][CH]1)C(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H23N2O.C5H5.Fe/c1-12(2)15(13-7-4-5-8-13)16-17-10-6-9-14(17)11-18-3;1-2-4-5-3-1;/h4-5,7-8,12,14H,6,9-11H2,1-3H3;1-5H;/q;;+2/b16-15-;;/t14-;;/m0../s1
InChIKeyQUSPWWMMNKYKRN-GJSHEOMYSA-N
XLogP3.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10809024?
The IUPAC name of CID 10809024 (CID 10809024) is not available.
What is the SMILES notation for CID 10809024?
The canonical SMILES for CID 10809024 is COC[C@@H]1CCCN1/N=C(\[C]1[CH][CH][CH][CH]1)C(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10809024?
The InChIKey is QUSPWWMMNKYKRN-GJSHEOMYSA-N. The full InChI is InChI=1S/C15H23N2O.C5H5.Fe/c1-12(2)15(13-7-4-5-8-13)16-17-10-6-9-14(17)11-18-3;1-2-4-5-3-1;/h4-5,7-8,12,14H,6,9-11H2,1-3H3;1-5H;/q;;+2/b16-15-;;/t14-;;/m0../s1.
What are the key properties of CID 10809024?
CID 10809024 has a molecular weight of 368.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10809024 is sourced from PubChem (CID 10809024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).