1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione

C11H17ClN2O2 — CID 107902004

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1C/C=C/Cl
InChIInChI=1S/C11H17ClN2O2/c1-3-5-9-10(15)13-8(2)11(16)14(9)7-4-6-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,15)/b6-4+
InChIKeyPCFSVXJPUBFGEA-GQCTYLIASA-N
MW244.72 g/mol
LogP1.25
Rot. Bonds4

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

1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione (PubChem CID 107902004) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
PubChem CID107902004
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1C/C=C/Cl
InChIInChI=1S/C11H17ClN2O2/c1-3-5-9-10(15)13-8(2)11(16)14(9)7-4-6-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,15)/b6-4+
InChIKeyPCFSVXJPUBFGEA-GQCTYLIASA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine-2,5-dione
CID 107902008
1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 64874078
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
CID 107902290
3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione
CID 64874866
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione
CID 79260475
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
1-[(E)-3-chloroprop-2-enyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107901996

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione (CID 107902004) is 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)C(=O)N1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione?
The InChIKey is PCFSVXJPUBFGEA-GQCTYLIASA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-5-9-10(15)13-8(2)11(16)14(9)7-4-6-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,15)/b6-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione has a molecular weight of 244.72 g/mol, XLogP of 1.25, 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]-3-methyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 107902004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).