3-ethyl-1-prop-2-enoylpiperazin-2-one

C9H14N2O2 — CID 54300426

IUPAC3-ethyl-1-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(CC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-7-9(13)11(6-5-10-7)8(12)4-2/h4,7,10H,2-3,5-6H2,1H3
InChIKeySDUCOIBFMFLRHL-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.09
Rot. Bonds2

About 3-ethyl-1-prop-2-enoylpiperazin-2-one

3-ethyl-1-prop-2-enoylpiperazin-2-one (PubChem CID 54300426) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-ethyl-1-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-1-prop-2-enoylpiperazin-2-one
PubChem CID54300426
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-ethyl-1-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(CC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-7-9(13)11(6-5-10-7)8(12)4-2/h4,7,10H,2-3,5-6H2,1H3
InChIKeySDUCOIBFMFLRHL-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-prop-2-enoylpiperazin-2-one?
The IUPAC name of 3-ethyl-1-prop-2-enoylpiperazin-2-one (CID 54300426) is 3-ethyl-1-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-1-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 3-ethyl-1-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCNC(CC)C1=O.
What is the InChIKey of 3-ethyl-1-prop-2-enoylpiperazin-2-one?
The InChIKey is SDUCOIBFMFLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-9(13)11(6-5-10-7)8(12)4-2/h4,7,10H,2-3,5-6H2,1H3.
What are the key properties of 3-ethyl-1-prop-2-enoylpiperazin-2-one?
3-ethyl-1-prop-2-enoylpiperazin-2-one has a molecular weight of 182.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 54300426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).