(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one

C10H18N2O — CID 20596587

IUPAC(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3+
InChIKeyCOHZELRSCCNDKF-ONEGZZNKSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds2

About (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one

(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one (PubChem CID 20596587) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one
PubChem CID20596587
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3+
InChIKeyCOHZELRSCCNDKF-ONEGZZNKSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one?
The IUPAC name of (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one (CID 20596587) is (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one.
What is the SMILES notation for (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one?
The canonical SMILES for (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one is CC(C)/C=C/C(=O)N1CCNCC1.
What is the InChIKey of (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one?
The InChIKey is COHZELRSCCNDKF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h3-4,9,11H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one?
(E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-piperazin-1-ylpent-2-en-1-one is sourced from PubChem (CID 20596587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).