1-(3-methylpent-3-en-2-yl)piperazin-2-one

C10H18N2O — CID 123868907

IUPAC1-(3-methylpent-3-en-2-yl)piperazin-2-one
SMILESCC=C(C)C(C)N1CCNCC1=O
InChIInChI=1S/C10H18N2O/c1-4-8(2)9(3)12-6-5-11-7-10(12)13/h4,9,11H,5-7H2,1-3H3
InChIKeyMMHZTGHOUBHRDP-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds2

About 1-(3-methylpent-3-en-2-yl)piperazin-2-one

1-(3-methylpent-3-en-2-yl)piperazin-2-one (PubChem CID 123868907) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methylpent-3-en-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methylpent-3-en-2-yl)piperazin-2-one
PubChem CID123868907
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-methylpent-3-en-2-yl)piperazin-2-one
SMILESCC=C(C)C(C)N1CCNCC1=O
InChIInChI=1S/C10H18N2O/c1-4-8(2)9(3)12-6-5-11-7-10(12)13/h4,9,11H,5-7H2,1-3H3
InChIKeyMMHZTGHOUBHRDP-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
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 1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The IUPAC name of 1-(3-methylpent-3-en-2-yl)piperazin-2-one (CID 123868907) is 1-(3-methylpent-3-en-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The canonical SMILES for 1-(3-methylpent-3-en-2-yl)piperazin-2-one is CC=C(C)C(C)N1CCNCC1=O.
What is the InChIKey of 1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The InChIKey is MMHZTGHOUBHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-8(2)9(3)12-6-5-11-7-10(12)13/h4,9,11H,5-7H2,1-3H3.
What are the key properties of 1-(3-methylpent-3-en-2-yl)piperazin-2-one?
1-(3-methylpent-3-en-2-yl)piperazin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpent-3-en-2-yl)piperazin-2-one is sourced from PubChem (CID 123868907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).