CID 10695303

C20H24FeIN+2 — CID 10695303

IUPAC—
SMILESC=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]
InChIInChI=1S/C15H19N.C5H5.Fe.HI/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13;1-2-4-5-3-1;;/h3-6,11,14H,1,7-10H2,2H3;1-5H;;1H/q+1;;+2;/p-1/b15-11-;;;
InChIKeyKVVLBDSTPQGRSV-SPHAOUDHSA-M
MW461.17 g/mol
LogP0.72
Rot. Bonds1

About CID 10695303

CID 10695303 (PubChem CID 10695303) has the molecular formula C20H24FeIN+2 and a molecular weight of 461.17 g/mol.

Molecular Properties

Compound NameCID 10695303
PubChem CID10695303
Molecular FormulaC20H24FeIN+2
Molecular Weight461.17 g/mol
Exact Mass461.03
IUPAC Name—
SMILESC=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]
InChIInChI=1S/C15H19N.C5H5.Fe.HI/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13;1-2-4-5-3-1;;/h3-6,11,14H,1,7-10H2,2H3;1-5H;;1H/q+1;;+2;/p-1/b15-11-;;;
InChIKeyKVVLBDSTPQGRSV-SPHAOUDHSA-M
XLogP0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10695303?
The IUPAC name of CID 10695303 (CID 10695303) is not available.
What is the SMILES notation for CID 10695303?
The canonical SMILES for CID 10695303 is C=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-].
What is the InChIKey of CID 10695303?
The InChIKey is KVVLBDSTPQGRSV-SPHAOUDHSA-M. The full InChI is InChI=1S/C15H19N.C5H5.Fe.HI/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13;1-2-4-5-3-1;;/h3-6,11,14H,1,7-10H2,2H3;1-5H;;1H/q+1;;+2;/p-1/b15-11-;;;.
What are the key properties of CID 10695303?
CID 10695303 has a molecular weight of 461.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10695303 is sourced from PubChem (CID 10695303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).