acetic acid;1-prop-2-enylpiperazine

C9H18N2O2 — CID 70468695

IUPACacetic acid;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.CC(=O)O
InChIInChI=1S/C7H14N2.C2H4O2/c1-2-5-9-6-3-8-4-7-9;1-2(3)4/h2,8H,1,3-7H2;1H3,(H,3,4)
InChIKeyXSVWWPSEZNCUHM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.17
Rot. Bonds2

About acetic acid;1-prop-2-enylpiperazine

acetic acid;1-prop-2-enylpiperazine (PubChem CID 70468695) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is acetic acid;1-prop-2-enylpiperazine.

Molecular Properties

Compound Nameacetic acid;1-prop-2-enylpiperazine
PubChem CID70468695
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameacetic acid;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.CC(=O)O
InChIInChI=1S/C7H14N2.C2H4O2/c1-2-5-9-6-3-8-4-7-9;1-2(3)4/h2,8H,1,3-7H2;1H3,(H,3,4)
InChIKeyXSVWWPSEZNCUHM-UHFFFAOYSA-N
XLogP0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.17
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 acetic acid;1-prop-2-enylpiperazine?
The IUPAC name of acetic acid;1-prop-2-enylpiperazine (CID 70468695) is acetic acid;1-prop-2-enylpiperazine.
What is the SMILES notation for acetic acid;1-prop-2-enylpiperazine?
The canonical SMILES for acetic acid;1-prop-2-enylpiperazine is C=CCN1CCNCC1.CC(=O)O.
What is the InChIKey of acetic acid;1-prop-2-enylpiperazine?
The InChIKey is XSVWWPSEZNCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H4O2/c1-2-5-9-6-3-8-4-7-9;1-2(3)4/h2,8H,1,3-7H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-prop-2-enylpiperazine?
acetic acid;1-prop-2-enylpiperazine has a molecular weight of 186.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-prop-2-enylpiperazine is sourced from PubChem (CID 70468695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).