6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione

C10H16N2O2 — CID 64873287

IUPAC6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C10H16N2O2/c1-4-6-12-8(5-2)9(13)11-7(3)10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,13)
InChIKeySRIGMSDSVKVXOT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds3

About 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione

6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 64873287) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
PubChem CID64873287
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C10H16N2O2/c1-4-6-12-8(5-2)9(13)11-7(3)10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,13)
InChIKeySRIGMSDSVKVXOT-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
CID 102908625
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484531
1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 107902004
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 106733454
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
1-[(1,1-dioxothiolan-2-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 81039757

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione (CID 64873287) is 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione is C=CCN1C(=O)C(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is SRIGMSDSVKVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-12-8(5-2)9(13)11-7(3)10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,13).
What are the key properties of 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione?
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 64873287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).