4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one

C9H15ClN2O — CID 130727538

IUPAC4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one
SMILESC=C(Cl)CN1CC(=O)NCC1(C)C
InChIInChI=1S/C9H15ClN2O/c1-7(10)4-12-5-8(13)11-6-9(12,2)3/h1,4-6H2,2-3H3,(H,11,13)
InChIKeyGODWXOQUWGXIKA-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.95
Rot. Bonds2

About 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one

4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one (PubChem CID 130727538) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one
PubChem CID130727538
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one
SMILESC=C(Cl)CN1CC(=O)NCC1(C)C
InChIInChI=1S/C9H15ClN2O/c1-7(10)4-12-5-8(13)11-6-9(12,2)3/h1,4-6H2,2-3H3,(H,11,13)
InChIKeyGODWXOQUWGXIKA-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one (CID 130727538) is 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one is C=C(Cl)CN1CC(=O)NCC1(C)C.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is GODWXOQUWGXIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(10)4-12-5-8(13)11-6-9(12,2)3/h1,4-6H2,2-3H3,(H,11,13).
What are the key properties of 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one?
4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 202.68 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 130727538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).