(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one

C10H18N2O — CID 143121601

IUPAC(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one
SMILESC/C=C\CC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-4H,5-9H2,1-2H3/b4-3-
InChIKeyCHSZJJDOHFFASY-ARJAWSKDSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds2

About (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one

(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one (PubChem CID 143121601) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one
PubChem CID143121601
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one
SMILESC/C=C\CC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-4H,5-9H2,1-2H3/b4-3-
InChIKeyCHSZJJDOHFFASY-ARJAWSKDSA-N
XLogP0.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one?
The IUPAC name of (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one (CID 143121601) is (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one.
What is the SMILES notation for (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one?
The canonical SMILES for (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one is C/C=C\CC(=O)N1CCN(C)CC1.
What is the InChIKey of (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one?
The InChIKey is CHSZJJDOHFFASY-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-4H,5-9H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one?
(Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylpiperazin-1-yl)pent-3-en-1-one is sourced from PubChem (CID 143121601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).