2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium

C6H14N2O — CID 163643939

IUPAC2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium
SMILESCCN1C(C)CC[NH+]1[O-]
InChIInChI=1S/C6H14N2O/c1-3-7-6(2)4-5-8(7)9/h6,8H,3-5H2,1-2H3
InChIKeyIGQLQMBKCPOXFG-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.60
Rot. Bonds1

About 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium

2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium (PubChem CID 163643939) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium
PubChem CID163643939
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium
SMILESCCN1C(C)CC[NH+]1[O-]
InChIInChI=1S/C6H14N2O/c1-3-7-6(2)4-5-8(7)9/h6,8H,3-5H2,1-2H3
InChIKeyIGQLQMBKCPOXFG-UHFFFAOYSA-N
XLogP-0.60
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylpyrrolidin-1-amine
CID 16067013
1-Propan-2-ylpyrazolidine
CID 20597157
3-N-methoxypyrrolidine-1,3-diamine
CID 22361163
1,3-Dimethylpyrazolidine
CID 44558448
1,5-Dimethylpyrazolidine
CID 44558449
5-Methyl-1-propan-2-ylpyrazolidine
CID 45092801
1-N-pyrrolidin-1-ylbutane-1,3-diamine
CID 57159104
1,3,5-Trimethylpyrazolidine
CID 57831676
1-Ethyl-3,5-dimethylpyrazolidine
CID 59903897
1-Hydroxy-3,5-dimethylpyrazolidine
CID 69305760
1-Methyl-1-oxidopyrazolidin-1-ium
CID 87628321
3,5-Dimethyl-1-oxidopyrazolidin-1-ium
CID 87699310

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium?
The IUPAC name of 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium (CID 163643939) is 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium.
What is the SMILES notation for 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium?
The canonical SMILES for 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium is CCN1C(C)CC[NH+]1[O-].
What is the InChIKey of 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium?
The InChIKey is IGQLQMBKCPOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-7-6(2)4-5-8(7)9/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium?
2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium has a molecular weight of 130.19 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-oxidopyrazolidin-1-ium is sourced from PubChem (CID 163643939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).