CID 18431206

C7H12N+ — CID 18431206

IUPAC—
SMILESC1CN2CC[C+]1CC2
InChIInChI=1S/C7H12N/c1-4-8-5-2-7(1)3-6-8/h1-6H2/q+1
InChIKeyQOGRXBHQZVWIQF-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.06
Rot. Bonds

About CID 18431206

CID 18431206 (PubChem CID 18431206) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol.

Molecular Properties

Compound NameCID 18431206
PubChem CID18431206
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name—
SMILESC1CN2CC[C+]1CC2
InChIInChI=1S/C7H12N/c1-4-8-5-2-7(1)3-6-8/h1-6H2/q+1
InChIKeyQOGRXBHQZVWIQF-UHFFFAOYSA-N
XLogP1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 18431206?
The IUPAC name of CID 18431206 (CID 18431206) is not available.
What is the SMILES notation for CID 18431206?
The canonical SMILES for CID 18431206 is C1CN2CC[C+]1CC2.
What is the InChIKey of CID 18431206?
The InChIKey is QOGRXBHQZVWIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-4-8-5-2-7(1)3-6-8/h1-6H2/q+1.
What are the key properties of CID 18431206?
CID 18431206 has a molecular weight of 110.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18431206 is sourced from PubChem (CID 18431206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).