1-(2-ethylpyrazolidin-1-yl)ethanone

C7H14N2O — CID 91333068

IUPAC1-(2-ethylpyrazolidin-1-yl)ethanone
SMILESCCN1CCCN1C(C)=O
InChIInChI=1S/C7H14N2O/c1-3-8-5-4-6-9(8)7(2)10/h3-6H2,1-2H3
InChIKeyPAQIFTOPBSASAE-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.48
Rot. Bonds1

About 1-(2-ethylpyrazolidin-1-yl)ethanone

1-(2-ethylpyrazolidin-1-yl)ethanone (PubChem CID 91333068) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(2-ethylpyrazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrazolidin-1-yl)ethanone
PubChem CID91333068
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(2-ethylpyrazolidin-1-yl)ethanone
SMILESCCN1CCCN1C(C)=O
InChIInChI=1S/C7H14N2O/c1-3-8-5-4-6-9(8)7(2)10/h3-6H2,1-2H3
InChIKeyPAQIFTOPBSASAE-UHFFFAOYSA-N
XLogP0.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethylpyrazolidinone
CID 15173886
1-(2-Methylpyrazolidin-1-yl)ethan-1-one
CID 71419460
1,2-Diacetylpyrazolidin-4-one
CID 16108775
1-Methyl-2-pent-2-ynylpyrazolidin-3-one
CID 42644209
1,2-Dipropylpyrazolidine-3,5-dione
CID 9899023
1,2-Di(propan-2-yl)pyrazolidin-3-one
CID 12066843
1-(Dimethylamino)pyrrolidin-2-one
CID 13428284
1,1'-(Pyrazolidine-1,2-diyl)diethanone
CID 15528871
1-Acetyl-2-methylpyrazolidin-3-one
CID 18183469
N',N'-dimethyl-N-propylacetohydrazide
CID 20295169
1,2-Diethylpyrazolidin-3-one
CID 21817259
N-methyl-N-pyrrolidin-1-ylacetamide
CID 22061284

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazolidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethylpyrazolidin-1-yl)ethanone (CID 91333068) is 1-(2-ethylpyrazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrazolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylpyrazolidin-1-yl)ethanone is CCN1CCCN1C(C)=O.
What is the InChIKey of 1-(2-ethylpyrazolidin-1-yl)ethanone?
The InChIKey is PAQIFTOPBSASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-8-5-4-6-9(8)7(2)10/h3-6H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazolidin-1-yl)ethanone?
1-(2-ethylpyrazolidin-1-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazolidin-1-yl)ethanone is sourced from PubChem (CID 91333068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).