6-methylidene-4-propan-2-ylpiperazin-2-one

C8H14N2O — CID 118188184

IUPAC6-methylidene-4-propan-2-ylpiperazin-2-one
SMILESC=C1CN(C(C)C)CC(=O)N1
InChIInChI=1S/C8H14N2O/c1-6(2)10-4-7(3)9-8(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyWASDLOOABVIBFQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.34
Rot. Bonds1

About 6-methylidene-4-propan-2-ylpiperazin-2-one

6-methylidene-4-propan-2-ylpiperazin-2-one (PubChem CID 118188184) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methylidene-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name6-methylidene-4-propan-2-ylpiperazin-2-one
PubChem CID118188184
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-methylidene-4-propan-2-ylpiperazin-2-one
SMILESC=C1CN(C(C)C)CC(=O)N1
InChIInChI=1S/C8H14N2O/c1-6(2)10-4-7(3)9-8(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyWASDLOOABVIBFQ-UHFFFAOYSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-propan-2-ylpiperazin-2-one?
The IUPAC name of 6-methylidene-4-propan-2-ylpiperazin-2-one (CID 118188184) is 6-methylidene-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 6-methylidene-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 6-methylidene-4-propan-2-ylpiperazin-2-one is C=C1CN(C(C)C)CC(=O)N1.
What is the InChIKey of 6-methylidene-4-propan-2-ylpiperazin-2-one?
The InChIKey is WASDLOOABVIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-4-7(3)9-8(11)5-10/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 6-methylidene-4-propan-2-ylpiperazin-2-one?
6-methylidene-4-propan-2-ylpiperazin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 118188184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).