(5S)-1-methyl-5-prop-2-enylpiperazin-2-one

C8H14N2O — CID 58667017

IUPAC(5S)-1-methyl-5-prop-2-enylpiperazin-2-one
SMILESC=CC[C@H]1CN(C)C(=O)CN1
InChIInChI=1S/C8H14N2O/c1-3-4-7-6-10(2)8(11)5-9-7/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyTUDVXSGDJLTUNZ-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.01
Rot. Bonds2

About (5S)-1-methyl-5-prop-2-enylpiperazin-2-one

(5S)-1-methyl-5-prop-2-enylpiperazin-2-one (PubChem CID 58667017) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (5S)-1-methyl-5-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-prop-2-enylpiperazin-2-one
PubChem CID58667017
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(5S)-1-methyl-5-prop-2-enylpiperazin-2-one
SMILESC=CC[C@H]1CN(C)C(=O)CN1
InChIInChI=1S/C8H14N2O/c1-3-4-7-6-10(2)8(11)5-9-7/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyTUDVXSGDJLTUNZ-ZETCQYMHSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-1-methyl-5-prop-2-enylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-prop-2-enylpiperazin-2-one?
The IUPAC name of (5S)-1-methyl-5-prop-2-enylpiperazin-2-one (CID 58667017) is (5S)-1-methyl-5-prop-2-enylpiperazin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-prop-2-enylpiperazin-2-one?
The canonical SMILES for (5S)-1-methyl-5-prop-2-enylpiperazin-2-one is C=CC[C@H]1CN(C)C(=O)CN1.
What is the InChIKey of (5S)-1-methyl-5-prop-2-enylpiperazin-2-one?
The InChIKey is TUDVXSGDJLTUNZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-7-6-10(2)8(11)5-9-7/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (5S)-1-methyl-5-prop-2-enylpiperazin-2-one?
(5S)-1-methyl-5-prop-2-enylpiperazin-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 58667017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).