CID 59617059

C11H16NW15- — CID 59617059

IUPAC—
SMILESCC(C)C1=CC(=[W])C(=[W])N1.CC(C)[C-]=[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C7H9N.C4H7.15W/c1-6(2)7-4-3-5-8-7;1-4(2)3;;;;;;;;;;;;;;;/h4,6,8H,1-2H3;4H,1-2H3;;;;;;;;;;;;;;;/q;-1;;;;;;;;;;;;;;;
InChIKeyGEXFJHFNMZTAIB-UHFFFAOYSA-N
MW2919.86 g/mol
LogP1.36
Rot. Bonds2

About CID 59617059

CID 59617059 (PubChem CID 59617059) has the molecular formula C11H16NW15- and a molecular weight of 2919.86 g/mol.

Molecular Properties

Compound NameCID 59617059
PubChem CID59617059
Molecular FormulaC11H16NW15-
Molecular Weight2919.86 g/mol
Exact Mass2921.39
IUPAC Name—
SMILESCC(C)C1=CC(=[W])C(=[W])N1.CC(C)[C-]=[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C7H9N.C4H7.15W/c1-6(2)7-4-3-5-8-7;1-4(2)3;;;;;;;;;;;;;;;/h4,6,8H,1-2H3;4H,1-2H3;;;;;;;;;;;;;;;/q;-1;;;;;;;;;;;;;;;
InChIKeyGEXFJHFNMZTAIB-UHFFFAOYSA-N
XLogP1.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002919.86
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59617059?
The IUPAC name of CID 59617059 (CID 59617059) is not available.
What is the SMILES notation for CID 59617059?
The canonical SMILES for CID 59617059 is CC(C)C1=CC(=[W])C(=[W])N1.CC(C)[C-]=[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of CID 59617059?
The InChIKey is GEXFJHFNMZTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H7.15W/c1-6(2)7-4-3-5-8-7;1-4(2)3;;;;;;;;;;;;;;;/h4,6,8H,1-2H3;4H,1-2H3;;;;;;;;;;;;;;;/q;-1;;;;;;;;;;;;;;;.
What are the key properties of CID 59617059?
CID 59617059 has a molecular weight of 2919.86 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59617059 is sourced from PubChem (CID 59617059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).