(5R)-5-prop-1-en-2-ylpiperazin-2-one

C7H12N2O — CID 89476714

IUPAC(5R)-5-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)[C@@H]1CNC(=O)CN1
InChIInChI=1S/C7H12N2O/c1-5(2)6-3-9-7(10)4-8-6/h6,8H,1,3-4H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyJOLWRMFVOBLNND-LURJTMIESA-N
MW140.19 g/mol
LogP-0.35
Rot. Bonds1

About (5R)-5-prop-1-en-2-ylpiperazin-2-one

(5R)-5-prop-1-en-2-ylpiperazin-2-one (PubChem CID 89476714) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (5R)-5-prop-1-en-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-5-prop-1-en-2-ylpiperazin-2-one
PubChem CID89476714
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(5R)-5-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)[C@@H]1CNC(=O)CN1
InChIInChI=1S/C7H12N2O/c1-5(2)6-3-9-7(10)4-8-6/h6,8H,1,3-4H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyJOLWRMFVOBLNND-LURJTMIESA-N
XLogP-0.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
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 (5R)-5-prop-1-en-2-ylpiperazin-2-one?
The IUPAC name of (5R)-5-prop-1-en-2-ylpiperazin-2-one (CID 89476714) is (5R)-5-prop-1-en-2-ylpiperazin-2-one.
What is the SMILES notation for (5R)-5-prop-1-en-2-ylpiperazin-2-one?
The canonical SMILES for (5R)-5-prop-1-en-2-ylpiperazin-2-one is C=C(C)[C@@H]1CNC(=O)CN1.
What is the InChIKey of (5R)-5-prop-1-en-2-ylpiperazin-2-one?
The InChIKey is JOLWRMFVOBLNND-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-3-9-7(10)4-8-6/h6,8H,1,3-4H2,2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (5R)-5-prop-1-en-2-ylpiperazin-2-one?
(5R)-5-prop-1-en-2-ylpiperazin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-prop-1-en-2-ylpiperazin-2-one is sourced from PubChem (CID 89476714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).