azane;1-prop-2-enylpiperazine

C7H17N3 — CID 66614370

IUPACazane;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.N
InChIInChI=1S/C7H14N2.H3N/c1-2-5-9-6-3-8-4-7-9;/h2,8H,1,3-7H2;1H3
InChIKeyVCSXUQJGLKNRLB-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.24
Rot. Bonds2

About azane;1-prop-2-enylpiperazine

azane;1-prop-2-enylpiperazine (PubChem CID 66614370) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is azane;1-prop-2-enylpiperazine.

Molecular Properties

Compound Nameazane;1-prop-2-enylpiperazine
PubChem CID66614370
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Nameazane;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.N
InChIInChI=1S/C7H14N2.H3N/c1-2-5-9-6-3-8-4-7-9;/h2,8H,1,3-7H2;1H3
InChIKeyVCSXUQJGLKNRLB-UHFFFAOYSA-N
XLogP0.24
TPSA50.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.24
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 azane;1-prop-2-enylpiperazine?
The IUPAC name of azane;1-prop-2-enylpiperazine (CID 66614370) is azane;1-prop-2-enylpiperazine.
What is the SMILES notation for azane;1-prop-2-enylpiperazine?
The canonical SMILES for azane;1-prop-2-enylpiperazine is C=CCN1CCNCC1.N.
What is the InChIKey of azane;1-prop-2-enylpiperazine?
The InChIKey is VCSXUQJGLKNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.H3N/c1-2-5-9-6-3-8-4-7-9;/h2,8H,1,3-7H2;1H3.
What are the key properties of azane;1-prop-2-enylpiperazine?
azane;1-prop-2-enylpiperazine has a molecular weight of 143.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-prop-2-enylpiperazine is sourced from PubChem (CID 66614370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).