4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one

C9H15ClN2O — CID 131234767

IUPAC4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C/C=C/Cl
InChIInChI=1S/C9H15ClN2O/c1-2-8-9(13)11-5-7-12(8)6-3-4-10/h3-4,8H,2,5-7H2,1H3,(H,11,13)/b4-3+
InChIKeyXDEMWNKFHZJHON-ONEGZZNKSA-N
MW202.68 g/mol
LogP0.95
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one

4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one (PubChem CID 131234767) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
PubChem CID131234767
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C/C=C/Cl
InChIInChI=1S/C9H15ClN2O/c1-2-8-9(13)11-5-7-12(8)6-3-4-10/h3-4,8H,2,5-7H2,1H3,(H,11,13)/b4-3+
InChIKeyXDEMWNKFHZJHON-ONEGZZNKSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
(3S)-4-[(E)-hex-2-enyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 95388308
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
CID 104870196
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
CID 129395126
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
CID 120899902
3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
CID 120981528
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80613683

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one (CID 131234767) is 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C/C=C/Cl.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one?
The InChIKey is XDEMWNKFHZJHON-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-2-8-9(13)11-5-7-12(8)6-3-4-10/h3-4,8H,2,5-7H2,1H3,(H,11,13)/b4-3+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one?
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one has a molecular weight of 202.68 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 131234767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).