1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C12H19ClN2O2 — CID 106440619

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H19ClN2O2/c1-7(2)10-11(16)14-9(4)12(17)15(10)6-8(3)5-13/h5,7,9-10H,6H2,1-4H3,(H,14,16)
InChIKeyGWOWPGFJXGXWJL-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106440619) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106440619
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H19ClN2O2/c1-7(2)10-11(16)14-9(4)12(17)15(10)6-8(3)5-13/h5,7,9-10H,6H2,1-4H3,(H,14,16)
InChIKeyGWOWPGFJXGXWJL-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 106440619) is 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GWOWPGFJXGXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-7(2)10-11(16)14-9(4)12(17)15(10)6-8(3)5-13/h5,7,9-10H,6H2,1-4H3,(H,14,16).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 258.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106440619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).