1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione

C10H13ClN2O2 — CID 107902448

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(C/C=C/Cl)C(=O)C(C2CC2)N1
InChIInChI=1S/C10H13ClN2O2/c11-4-1-5-13-6-8(14)12-9(10(13)15)7-2-3-7/h1,4,7,9H,2-3,5-6H2,(H,12,14)/b4-1+
InChIKeyODGFXGOLMOSQHJ-DAFODLJHSA-N
MW228.68 g/mol
LogP0.48
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione

1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione (PubChem CID 107902448) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione
PubChem CID107902448
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(C/C=C/Cl)C(=O)C(C2CC2)N1
InChIInChI=1S/C10H13ClN2O2/c11-4-1-5-13-6-8(14)12-9(10(13)15)7-2-3-7/h1,4,7,9H,2-3,5-6H2,(H,12,14)/b4-1+
InChIKeyODGFXGOLMOSQHJ-DAFODLJHSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione (CID 107902448) is 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione is O=C1CN(C/C=C/Cl)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is ODGFXGOLMOSQHJ-DAFODLJHSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-4-1-5-13-6-8(14)12-9(10(13)15)7-2-3-7/h1,4,7,9H,2-3,5-6H2,(H,12,14)/b4-1+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 228.68 g/mol, XLogP of 0.48, 3 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]-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 107902448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).