1-(3-methylpyrazolidin-4-yl)ethanone

C6H12N2O — CID 170905610

IUPAC1-(3-methylpyrazolidin-4-yl)ethanone
SMILESCC(=O)C1CNNC1C
InChIInChI=1S/C6H12N2O/c1-4-6(5(2)9)3-7-8-4/h4,6-8H,3H2,1-2H3
InChIKeyBRZWNZRBMLQDAN-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.31
Rot. Bonds1

About 1-(3-methylpyrazolidin-4-yl)ethanone

1-(3-methylpyrazolidin-4-yl)ethanone (PubChem CID 170905610) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(3-methylpyrazolidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpyrazolidin-4-yl)ethanone
PubChem CID170905610
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(3-methylpyrazolidin-4-yl)ethanone
SMILESCC(=O)C1CNNC1C
InChIInChI=1S/C6H12N2O/c1-4-6(5(2)9)3-7-8-4/h4,6-8H,3H2,1-2H3
InChIKeyBRZWNZRBMLQDAN-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176833828
N-ethyl-N-(4-fluorophenyl)-3-methylpyrazolidine-4-carboxamide
CID 77014734
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
1-[(2S,3S,5S)-2,5-dimethylpyrrolidin-3-yl]ethanone
CID 102162628
N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide
CID 77014726
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
diazinane-3,4,5-tricarboxylic acid
CID 141079262
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazolidin-4-yl)ethanone?
The IUPAC name of 1-(3-methylpyrazolidin-4-yl)ethanone (CID 170905610) is 1-(3-methylpyrazolidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-methylpyrazolidin-4-yl)ethanone?
The canonical SMILES for 1-(3-methylpyrazolidin-4-yl)ethanone is CC(=O)C1CNNC1C.
What is the InChIKey of 1-(3-methylpyrazolidin-4-yl)ethanone?
The InChIKey is BRZWNZRBMLQDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(5(2)9)3-7-8-4/h4,6-8H,3H2,1-2H3.
What are the key properties of 1-(3-methylpyrazolidin-4-yl)ethanone?
1-(3-methylpyrazolidin-4-yl)ethanone has a molecular weight of 128.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazolidin-4-yl)ethanone is sourced from PubChem (CID 170905610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).