CID 58766108

C6H11N2+2 — CID 58766108

IUPAC—
SMILESCC[N+]1=CC=[N+](C)[CH]1
InChIInChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+2
InChIKeyANCSFRBOXOYAGX-UHFFFAOYSA-N
MW111.17 g/mol
LogP-0.06
Rot. Bonds1

About CID 58766108

CID 58766108 (PubChem CID 58766108) has the molecular formula C6H11N2+2 and a molecular weight of 111.17 g/mol.

Molecular Properties

Compound NameCID 58766108
PubChem CID58766108
Molecular FormulaC6H11N2+2
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name—
SMILESCC[N+]1=CC=[N+](C)[CH]1
InChIInChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+2
InChIKeyANCSFRBOXOYAGX-UHFFFAOYSA-N
XLogP-0.06
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide
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N-methyl-3-imidazoline
CID 53970254
1,2-Dimethyl-2,5-dihydro-1h-imidazole
CID 70230348
Methyl-3-imidazoline-3-oxide
CID 86012002
1,2,3-trimethyl-2H-imidazole-1,3-diium
CID 44272655
1-ethyl-3-methyl-2H-imidazole-1,3-diium
CID 5248662
1,3-dimethyl-2H-imidazole-1,3-diium
CID 11013588
1-methyl-2H-imidazol-1-ium
CID 12117253
(2E)-2-[(dimethylamino)methylimino]-N,N-dimethylethanamine
CID 20673994
1-methyl-3-propyl-2H-imidazole-1,3-diium
CID 21857703
3-Ethyl-2,4-dihydroimidazole
CID 57187658
1-butyl-2H-imidazol-1-ium
CID 57972545

Frequently Asked Questions

What is the IUPAC name of CID 58766108?
The IUPAC name of CID 58766108 (CID 58766108) is not available.
What is the SMILES notation for CID 58766108?
The canonical SMILES for CID 58766108 is CC[N+]1=CC=[N+](C)[CH]1.
What is the InChIKey of CID 58766108?
The InChIKey is ANCSFRBOXOYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+2.
What are the key properties of CID 58766108?
CID 58766108 has a molecular weight of 111.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58766108 is sourced from PubChem (CID 58766108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).