4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one

C10H16N2O — CID 123169806

IUPAC4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)C1CNC(=O)C(=C)N1CC
InChIInChI=1S/C10H16N2O/c1-5-12-8(4)10(13)11-6-9(12)7(2)3/h9H,2,4-6H2,1,3H3,(H,11,13)
InChIKeyVRJLHAQHZHHULM-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.90
Rot. Bonds2

About 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one

4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one (PubChem CID 123169806) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one
PubChem CID123169806
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one
SMILESC=C(C)C1CNC(=O)C(=C)N1CC
InChIInChI=1S/C10H16N2O/c1-5-12-8(4)10(13)11-6-9(12)7(2)3/h9H,2,4-6H2,1,3H3,(H,11,13)
InChIKeyVRJLHAQHZHHULM-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(diethylamino)prop-2-enamide
CID 20281321
4-(4-Methylpent-1-en-2-yl)piperazin-2-one
CID 58459904
4-Tert-butyl-5-methylidenepiperazin-2-one
CID 59009296
1-(2-Methyl-3-methylidenepiperazin-1-yl)ethanone
CID 68806926
2-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]prop-2-enamide
CID 69786209
2-Methyl-1-(2-methylpiperazin-1-yl)prop-2-en-1-one
CID 69908355
N-butyl-2-(dimethylamino)prop-2-enamide
CID 87436386
1-Piperazin-1-yl-2-(propylamino)prop-2-en-1-one
CID 89243877
(5R)-5-prop-1-en-2-ylpiperazin-2-one
CID 89476714
(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one
CID 122522401
5-(2-Aminoethyl)-4-methyl-3-methylidenepiperazin-2-one
CID 123753743
6-Methyl-5-methylidenepiperazin-2-one
CID 129036199

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one?
The IUPAC name of 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one (CID 123169806) is 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one.
What is the SMILES notation for 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one?
The canonical SMILES for 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one is C=C(C)C1CNC(=O)C(=C)N1CC.
What is the InChIKey of 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one?
The InChIKey is VRJLHAQHZHHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-12-8(4)10(13)11-6-9(12)7(2)3/h9H,2,4-6H2,1,3H3,(H,11,13).
What are the key properties of 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one?
4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylidene-5-prop-1-en-2-ylpiperazin-2-one is sourced from PubChem (CID 123169806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).