(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one

C8H12N2O2 — CID 129371182

IUPAC(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(=O)[C@@H]1C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10-5-4-9-8(12)6(10)2/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1
InChIKeyMSVRNPRIOYJMRY-LURJTMIESA-N
MW168.20 g/mol
LogP-0.48
Rot. Bonds1

About (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one

(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one (PubChem CID 129371182) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
PubChem CID129371182
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(=O)[C@@H]1C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10-5-4-9-8(12)6(10)2/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1
InChIKeyMSVRNPRIOYJMRY-LURJTMIESA-N
XLogP-0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.48
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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Related Compounds

4-acetyl-3-methylpiperazin-2-one
CID 13190467
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-[3-(3,5-dichlorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one
CID 76995618
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
CID 63608112
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
3-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-2-one
CID 76995626
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one?
The IUPAC name of (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one (CID 129371182) is (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one?
The canonical SMILES for (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCNC(=O)[C@@H]1C.
What is the InChIKey of (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one?
The InChIKey is MSVRNPRIOYJMRY-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7(11)10-5-4-9-8(12)6(10)2/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one?
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 129371182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).