2-ethyl-1-methylpyrazolidin-3-one

C6H12N2O — CID 118930164

IUPAC2-ethyl-1-methylpyrazolidin-3-one
SMILESCCN1C(=O)CCN1C
InChIInChI=1S/C6H12N2O/c1-3-8-6(9)4-5-7(8)2/h3-5H2,1-2H3
InChIKeyYIIFHTZGJCOBIO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.09
Rot. Bonds1

About 2-ethyl-1-methylpyrazolidin-3-one

2-ethyl-1-methylpyrazolidin-3-one (PubChem CID 118930164) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-1-methylpyrazolidin-3-one.

Molecular Properties

Compound Name2-ethyl-1-methylpyrazolidin-3-one
PubChem CID118930164
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethyl-1-methylpyrazolidin-3-one
SMILESCCN1C(=O)CCN1C
InChIInChI=1S/C6H12N2O/c1-3-8-6(9)4-5-7(8)2/h3-5H2,1-2H3
InChIKeyYIIFHTZGJCOBIO-UHFFFAOYSA-N
XLogP0.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethyl-3,5-dioxopyrazolidin
CID 12706755
1,2-Dimethylpyrazolidinone
CID 15173886
1-(2-Methylpyrazolidin-1-yl)ethan-1-one
CID 71419460
1,2,4,4-Tetramethylpyrazolidin-3-one
CID 54403785
Pyrrolidinyl-2-azetidinone
CID 91052946
1-Methyl-2-pentylpyrazolidin-3-one
CID 11708133
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
1,2,5-Trimethylpyrazolidin-3-one
CID 15173888
1,1'-(Pyrazolidine-1,2-diyl)diethanone
CID 15528871

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylpyrazolidin-3-one?
The IUPAC name of 2-ethyl-1-methylpyrazolidin-3-one (CID 118930164) is 2-ethyl-1-methylpyrazolidin-3-one.
What is the SMILES notation for 2-ethyl-1-methylpyrazolidin-3-one?
The canonical SMILES for 2-ethyl-1-methylpyrazolidin-3-one is CCN1C(=O)CCN1C.
What is the InChIKey of 2-ethyl-1-methylpyrazolidin-3-one?
The InChIKey is YIIFHTZGJCOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-8-6(9)4-5-7(8)2/h3-5H2,1-2H3.
What are the key properties of 2-ethyl-1-methylpyrazolidin-3-one?
2-ethyl-1-methylpyrazolidin-3-one has a molecular weight of 128.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylpyrazolidin-3-one is sourced from PubChem (CID 118930164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).