CID 134967311

C7H13N+ — CID 134967311

IUPAC—
SMILESC1C[N+]2CCC1CC2
InChIInChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2/q+1
InChIKeyBKFANQOPDFNRJZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.94
Rot. Bonds

About CID 134967311

CID 134967311 (PubChem CID 134967311) has the molecular formula C7H13N+ and a molecular weight of 111.19 g/mol.

Molecular Properties

Compound NameCID 134967311
PubChem CID134967311
Molecular FormulaC7H13N+
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name—
SMILESC1C[N+]2CCC1CC2
InChIInChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2/q+1
InChIKeyBKFANQOPDFNRJZ-UHFFFAOYSA-N
XLogP0.94
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134967311?
The IUPAC name of CID 134967311 (CID 134967311) is not available.
What is the SMILES notation for CID 134967311?
The canonical SMILES for CID 134967311 is C1C[N+]2CCC1CC2.
What is the InChIKey of CID 134967311?
The InChIKey is BKFANQOPDFNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2/q+1.
What are the key properties of CID 134967311?
CID 134967311 has a molecular weight of 111.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134967311 is sourced from PubChem (CID 134967311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).