1-oxido-2-propylimidazolidin-1-ium

C6H14N2O — CID 88708583

IUPAC1-oxido-2-propylimidazolidin-1-ium
SMILESCCCC1NCC[NH+]1[O-]
InChIInChI=1S/C6H14N2O/c1-2-3-6-7-4-5-8(6)9/h6-8H,2-5H2,1H3
InChIKeyVIUSJKJNBDHSSW-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.90
Rot. Bonds2

About 1-oxido-2-propylimidazolidin-1-ium

1-oxido-2-propylimidazolidin-1-ium (PubChem CID 88708583) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-oxido-2-propylimidazolidin-1-ium.

Molecular Properties

Compound Name1-oxido-2-propylimidazolidin-1-ium
PubChem CID88708583
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-oxido-2-propylimidazolidin-1-ium
SMILESCCCC1NCC[NH+]1[O-]
InChIInChI=1S/C6H14N2O/c1-2-3-6-7-4-5-8(6)9/h6-8H,2-5H2,1H3
InChIKeyVIUSJKJNBDHSSW-UHFFFAOYSA-N
XLogP-0.90
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-propylimidazolidin-1-ium?
The IUPAC name of 1-oxido-2-propylimidazolidin-1-ium (CID 88708583) is 1-oxido-2-propylimidazolidin-1-ium.
What is the SMILES notation for 1-oxido-2-propylimidazolidin-1-ium?
The canonical SMILES for 1-oxido-2-propylimidazolidin-1-ium is CCCC1NCC[NH+]1[O-].
What is the InChIKey of 1-oxido-2-propylimidazolidin-1-ium?
The InChIKey is VIUSJKJNBDHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-3-6-7-4-5-8(6)9/h6-8H,2-5H2,1H3.
What are the key properties of 1-oxido-2-propylimidazolidin-1-ium?
1-oxido-2-propylimidazolidin-1-ium has a molecular weight of 130.19 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-propylimidazolidin-1-ium is sourced from PubChem (CID 88708583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).