(5R)-5-ethynyl-1-methylpiperazin-2-one

C7H10N2O — CID 155330254

IUPAC(5R)-5-ethynyl-1-methylpiperazin-2-one
SMILESC#C[C@@H]1CN(C)C(=O)CN1
InChIInChI=1S/C7H10N2O/c1-3-6-5-9(2)7(10)4-8-6/h1,6,8H,4-5H2,2H3/t6-/m1/s1
InChIKeyLEMRAVHDFNDKHB-ZCFIWIBFSA-N
MW138.17 g/mol
LogP-0.95
Rot. Bonds

About (5R)-5-ethynyl-1-methylpiperazin-2-one

(5R)-5-ethynyl-1-methylpiperazin-2-one (PubChem CID 155330254) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (5R)-5-ethynyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-5-ethynyl-1-methylpiperazin-2-one
PubChem CID155330254
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(5R)-5-ethynyl-1-methylpiperazin-2-one
SMILESC#C[C@@H]1CN(C)C(=O)CN1
InChIInChI=1S/C7H10N2O/c1-3-6-5-9(2)7(10)4-8-6/h1,6,8H,4-5H2,2H3/t6-/m1/s1
InChIKeyLEMRAVHDFNDKHB-ZCFIWIBFSA-N
XLogP-0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethynyl-1-methylpiperazin-2-one?
The IUPAC name of (5R)-5-ethynyl-1-methylpiperazin-2-one (CID 155330254) is (5R)-5-ethynyl-1-methylpiperazin-2-one.
What is the SMILES notation for (5R)-5-ethynyl-1-methylpiperazin-2-one?
The canonical SMILES for (5R)-5-ethynyl-1-methylpiperazin-2-one is C#C[C@@H]1CN(C)C(=O)CN1.
What is the InChIKey of (5R)-5-ethynyl-1-methylpiperazin-2-one?
The InChIKey is LEMRAVHDFNDKHB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6-5-9(2)7(10)4-8-6/h1,6,8H,4-5H2,2H3/t6-/m1/s1.
What are the key properties of (5R)-5-ethynyl-1-methylpiperazin-2-one?
(5R)-5-ethynyl-1-methylpiperazin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethynyl-1-methylpiperazin-2-one is sourced from PubChem (CID 155330254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).