1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

C13H19ClN2O2 — CID 106440757

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C13H19ClN2O2/c1-8(6-14)7-16-9(2)11(17)15-13(3,12(16)18)10-4-5-10/h6,9-10H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyALVPSFSVEKQUIV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 106440757) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID106440757
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C13H19ClN2O2/c1-8(6-14)7-16-9(2)11(17)15-13(3,12(16)18)10-4-5-10/h6,9-10H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyALVPSFSVEKQUIV-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.64
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-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 106440757) is 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ALVPSFSVEKQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(6-14)7-16-9(2)11(17)15-13(3,12(16)18)10-4-5-10/h6,9-10H,4-5,7H2,1-3H3,(H,15,17).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 270.76 g/mol, XLogP of 1.64, 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-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 106440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).