1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione

C16H17ClN2O2 — CID 107902293

IUPAC1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione
SMILESO=C1NC(c2ccccc2)C(=O)N(C/C=C/Cl)C1C1CC1
InChIInChI=1S/C16H17ClN2O2/c17-9-4-10-19-14(12-7-8-12)15(20)18-13(16(19)21)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2,(H,18,20)/b9-4+
InChIKeyIMUKAJNAIVXGBJ-RUDMXATFSA-N
MW304.78 g/mol
LogP2.22
Rot. Bonds4

About 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione

1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione (PubChem CID 107902293) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione
PubChem CID107902293
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione
SMILESO=C1NC(c2ccccc2)C(=O)N(C/C=C/Cl)C1C1CC1
InChIInChI=1S/C16H17ClN2O2/c17-9-4-10-19-14(12-7-8-12)15(20)18-13(16(19)21)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2,(H,18,20)/b9-4+
InChIKeyIMUKAJNAIVXGBJ-RUDMXATFSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
CID 107902290
6-cyclopropyl-1-ethyl-3-phenylpiperazine-2,5-dione
CID 64885933
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 107902470
1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64887460
6-methyl-3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963667
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
CID 64886696
3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
CID 64900807
1-[(E)-but-2-enyl]-6-ethyl-6-methyl-3-phenylpiperazine-2,5-dione
CID 107898345
1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione
CID 104766436

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione (CID 107902293) is 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione is O=C1NC(c2ccccc2)C(=O)N(C/C=C/Cl)C1C1CC1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The InChIKey is IMUKAJNAIVXGBJ-RUDMXATFSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-9-4-10-19-14(12-7-8-12)15(20)18-13(16(19)21)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2,(H,18,20)/b9-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione has a molecular weight of 304.78 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 107902293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).