CID 10495848

C19H21FeN+2 — CID 10495848

IUPAC—
SMILESC=C1/C(=C\[C]2[CH][CH][CH][CH]2)N2CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H16N.C5H5.Fe/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12;1-2-4-5-3-1;/h2-5,10,13H,1,6-9H2;1-5H;/q;;+2/b14-10+;;
InChIKeyPSMDVOSLKFAHBQ-YZEJZXAXSA-N
MW319.23 g/mol
LogP3.58
Rot. Bonds1

About CID 10495848

CID 10495848 (PubChem CID 10495848) has the molecular formula C19H21FeN+2 and a molecular weight of 319.23 g/mol.

Molecular Properties

Compound NameCID 10495848
PubChem CID10495848
Molecular FormulaC19H21FeN+2
Molecular Weight319.23 g/mol
Exact Mass319.10
IUPAC Name—
SMILESC=C1/C(=C\[C]2[CH][CH][CH][CH]2)N2CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H16N.C5H5.Fe/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12;1-2-4-5-3-1;/h2-5,10,13H,1,6-9H2;1-5H;/q;;+2/b14-10+;;
InChIKeyPSMDVOSLKFAHBQ-YZEJZXAXSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10495848?
The IUPAC name of CID 10495848 (CID 10495848) is not available.
What is the SMILES notation for CID 10495848?
The canonical SMILES for CID 10495848 is C=C1/C(=C\[C]2[CH][CH][CH][CH]2)N2CCC1CC2.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10495848?
The InChIKey is PSMDVOSLKFAHBQ-YZEJZXAXSA-N. The full InChI is InChI=1S/C14H16N.C5H5.Fe/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12;1-2-4-5-3-1;/h2-5,10,13H,1,6-9H2;1-5H;/q;;+2/b14-10+;;.
What are the key properties of CID 10495848?
CID 10495848 has a molecular weight of 319.23 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10495848 is sourced from PubChem (CID 10495848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).