CID 175688158

C6H11NO+ — CID 175688158

IUPAC—
SMILES[C]#[N+]CC(C)(C)OC
InChIInChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3/q+1
InChIKeyXZVAZXNVESQBPF-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds2

About CID 175688158

CID 175688158 (PubChem CID 175688158) has the molecular formula C6H11NO+ and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 175688158
PubChem CID175688158
Molecular FormulaC6H11NO+
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILES[C]#[N+]CC(C)(C)OC
InChIInChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3/q+1
InChIKeyXZVAZXNVESQBPF-UHFFFAOYSA-N
XLogP1.33
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175688158?
The IUPAC name of CID 175688158 (CID 175688158) is not available.
What is the SMILES notation for CID 175688158?
The canonical SMILES for CID 175688158 is [C]#[N+]CC(C)(C)OC.
What is the InChIKey of CID 175688158?
The InChIKey is XZVAZXNVESQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3/q+1.
What are the key properties of CID 175688158?
CID 175688158 has a molecular weight of 113.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175688158 is sourced from PubChem (CID 175688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).