2-amino-1-piperazin-1-ylethanone;prop-1-ene

C9H19N3O — CID 67934567

IUPAC2-amino-1-piperazin-1-ylethanone;prop-1-ene
SMILESC=CC.NCC(=O)N1CCNCC1
InChIInChI=1S/C6H13N3O.C3H6/c7-5-6(10)9-3-1-8-2-4-9;1-3-2/h8H,1-5,7H2;3H,1H2,2H3
InChIKeyUFGCSHUEHOSJBW-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.43
Rot. Bonds1

About 2-amino-1-piperazin-1-ylethanone;prop-1-ene

2-amino-1-piperazin-1-ylethanone;prop-1-ene (PubChem CID 67934567) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-1-piperazin-1-ylethanone;prop-1-ene.

Molecular Properties

Compound Name2-amino-1-piperazin-1-ylethanone;prop-1-ene
PubChem CID67934567
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-1-piperazin-1-ylethanone;prop-1-ene
SMILESC=CC.NCC(=O)N1CCNCC1
InChIInChI=1S/C6H13N3O.C3H6/c7-5-6(10)9-3-1-8-2-4-9;1-3-2/h8H,1-5,7H2;3H,1H2,2H3
InChIKeyUFGCSHUEHOSJBW-UHFFFAOYSA-N
XLogP-0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperazin-1-ylethanone;prop-1-ene?
The IUPAC name of 2-amino-1-piperazin-1-ylethanone;prop-1-ene (CID 67934567) is 2-amino-1-piperazin-1-ylethanone;prop-1-ene.
What is the SMILES notation for 2-amino-1-piperazin-1-ylethanone;prop-1-ene?
The canonical SMILES for 2-amino-1-piperazin-1-ylethanone;prop-1-ene is C=CC.NCC(=O)N1CCNCC1.
What is the InChIKey of 2-amino-1-piperazin-1-ylethanone;prop-1-ene?
The InChIKey is UFGCSHUEHOSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O.C3H6/c7-5-6(10)9-3-1-8-2-4-9;1-3-2/h8H,1-5,7H2;3H,1H2,2H3.
What are the key properties of 2-amino-1-piperazin-1-ylethanone;prop-1-ene?
2-amino-1-piperazin-1-ylethanone;prop-1-ene has a molecular weight of 185.27 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperazin-1-ylethanone;prop-1-ene is sourced from PubChem (CID 67934567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).