1-ethenyl-4-(2-nitrosoethyl)piperazine

C8H15N3O — CID 118402798

IUPAC1-ethenyl-4-(2-nitrosoethyl)piperazine
SMILESC=CN1CCN(CCN=O)CC1
InChIInChI=1S/C8H15N3O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h2H,1,3-8H2
InChIKeyZVMUNIPPEILZGQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.51
Rot. Bonds4

About 1-ethenyl-4-(2-nitrosoethyl)piperazine

1-ethenyl-4-(2-nitrosoethyl)piperazine (PubChem CID 118402798) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-ethenyl-4-(2-nitrosoethyl)piperazine.

Molecular Properties

Compound Name1-ethenyl-4-(2-nitrosoethyl)piperazine
PubChem CID118402798
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-ethenyl-4-(2-nitrosoethyl)piperazine
SMILESC=CN1CCN(CCN=O)CC1
InChIInChI=1S/C8H15N3O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h2H,1,3-8H2
InChIKeyZVMUNIPPEILZGQ-UHFFFAOYSA-N
XLogP0.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethenyl-4-(2-nitrosoethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-nitrosoethyl)piperazine?
The IUPAC name of 1-ethenyl-4-(2-nitrosoethyl)piperazine (CID 118402798) is 1-ethenyl-4-(2-nitrosoethyl)piperazine.
What is the SMILES notation for 1-ethenyl-4-(2-nitrosoethyl)piperazine?
The canonical SMILES for 1-ethenyl-4-(2-nitrosoethyl)piperazine is C=CN1CCN(CCN=O)CC1.
What is the InChIKey of 1-ethenyl-4-(2-nitrosoethyl)piperazine?
The InChIKey is ZVMUNIPPEILZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h2H,1,3-8H2.
What are the key properties of 1-ethenyl-4-(2-nitrosoethyl)piperazine?
1-ethenyl-4-(2-nitrosoethyl)piperazine has a molecular weight of 169.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-nitrosoethyl)piperazine is sourced from PubChem (CID 118402798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).