CID 10575972

C20H24FeIN+2 — CID 10575972

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-AKHNGERGSA-M
MW461.17 g/mol
LogP0.72
Rot. Bonds1

About CID 10575972

CID 10575972 (PubChem CID 10575972) has the molecular formula C20H24FeIN+2 and a molecular weight of 461.17 g/mol.

Molecular Properties

Compound NameCID 10575972
PubChem CID10575972
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-AKHNGERGSA-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 10575972?
The IUPAC name of CID 10575972 (CID 10575972) is not available.
What is the SMILES notation for CID 10575972?
The canonical SMILES for CID 10575972 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 10575972?
The InChIKey is KVVLBDSTPQGRSV-AKHNGERGSA-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 10575972?
CID 10575972 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 10575972 is sourced from PubChem (CID 10575972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).