1-ethyl-4-prop-1-en-2-ylpiperazin-2-one

C9H16N2O — CID 153368023

IUPAC1-ethyl-4-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)N1CCN(CC)C(=O)C1
InChIInChI=1S/C9H16N2O/c1-4-10-5-6-11(8(2)3)7-9(10)12/h2,4-7H2,1,3H3
InChIKeyKQKYATZKWUCWMY-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.68
Rot. Bonds2

About 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one

1-ethyl-4-prop-1-en-2-ylpiperazin-2-one (PubChem CID 153368023) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-prop-1-en-2-ylpiperazin-2-one
PubChem CID153368023
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethyl-4-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)N1CCN(CC)C(=O)C1
InChIInChI=1S/C9H16N2O/c1-4-10-5-6-11(8(2)3)7-9(10)12/h2,4-7H2,1,3H3
InChIKeyKQKYATZKWUCWMY-UHFFFAOYSA-N
XLogP0.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one?
The IUPAC name of 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one (CID 153368023) is 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one.
What is the SMILES notation for 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one?
The canonical SMILES for 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one is C=C(C)N1CCN(CC)C(=O)C1.
What is the InChIKey of 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one?
The InChIKey is KQKYATZKWUCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-10-5-6-11(8(2)3)7-9(10)12/h2,4-7H2,1,3H3.
What are the key properties of 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one?
1-ethyl-4-prop-1-en-2-ylpiperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-1-en-2-ylpiperazin-2-one is sourced from PubChem (CID 153368023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).