2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one

C12H16N2O — CID 105456569

IUPAC2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one
SMILESCc1cccc(CCN2NCCC2=O)c1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)6-8-14-12(15)5-7-13-14/h2-4,9,13H,5-8H2,1H3
InChIKeyZDTSDTJJTQUGOS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds3

About 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one

2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one (PubChem CID 105456569) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one
PubChem CID105456569
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one
SMILESCc1cccc(CCN2NCCC2=O)c1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)6-8-14-12(15)5-7-13-14/h2-4,9,13H,5-8H2,1H3
InChIKeyZDTSDTJJTQUGOS-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
CID 62315382
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125537
2-[2-(2-methylphenyl)ethyl]diazinan-3-one
CID 105472933
1-[2-(3-methylphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670676
8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947825
1-[2-(3-methylphenyl)ethyl]piperidin-2-imine
CID 62314831
1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one
CID 141101121
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
6-chloro-5-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404659
5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one?
The IUPAC name of 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one (CID 105456569) is 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one?
The canonical SMILES for 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one is Cc1cccc(CCN2NCCC2=O)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one?
The InChIKey is ZDTSDTJJTQUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)6-8-14-12(15)5-7-13-14/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one?
2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one has a molecular weight of 204.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one is sourced from PubChem (CID 105456569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).