CID 134849091

C11H15NO+ — CID 134849091

IUPAC—
SMILESOCc1ccccc1[N+]1CCCC1
InChIInChI=1S/C11H15NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2/q+1
InChIKeyOOFNGAKJPFNFNR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.74
Rot. Bonds2

About CID 134849091

CID 134849091 (PubChem CID 134849091) has the molecular formula C11H15NO+ and a molecular weight of 177.25 g/mol.

Molecular Properties

Compound NameCID 134849091
PubChem CID134849091
Molecular FormulaC11H15NO+
Molecular Weight177.25 g/mol
Exact Mass177.11
IUPAC Name—
SMILESOCc1ccccc1[N+]1CCCC1
InChIInChI=1S/C11H15NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2/q+1
InChIKeyOOFNGAKJPFNFNR-UHFFFAOYSA-N
XLogP1.74
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 134849091?
The IUPAC name of CID 134849091 (CID 134849091) is not available.
What is the SMILES notation for CID 134849091?
The canonical SMILES for CID 134849091 is OCc1ccccc1[N+]1CCCC1.
What is the InChIKey of CID 134849091?
The InChIKey is OOFNGAKJPFNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2/q+1.
What are the key properties of CID 134849091?
CID 134849091 has a molecular weight of 177.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134849091 is sourced from PubChem (CID 134849091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).