6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

C13H20N2O2 — CID 107902417

IUPAC6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)CNC(=O)C1(C)C1CC1
InChIInChI=1S/C13H20N2O2/c1-9(2)6-7-15-11(16)8-14-12(17)13(15,3)10-4-5-10/h6,10H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyBJWYMNWGRQUKEV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds3

About 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (PubChem CID 107902417) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
PubChem CID107902417
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)CNC(=O)C1(C)C1CC1
InChIInChI=1S/C13H20N2O2/c1-9(2)6-7-15-11(16)8-14-12(17)13(15,3)10-4-5-10/h6,10H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyBJWYMNWGRQUKEV-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione with MolForge

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Related Compounds

1-[(E)-but-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898411
6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
CID 80697163
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64881486
6-cyclopropyl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64879359
1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64881292
6-cyclopropyl-6-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141996
6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879939
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879937
6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 107310580
1-[(5-bromo-3-pyridinyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 104812786

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (CID 107902417) is 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is CC(C)=CCN1C(=O)CNC(=O)C1(C)C1CC1.
What is the InChIKey of 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The InChIKey is BJWYMNWGRQUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)6-7-15-11(16)8-14-12(17)13(15,3)10-4-5-10/h6,10H,4-5,7-8H2,1-3H3,(H,14,17).
What are the key properties of 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 107902417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).