(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one

C9H16N2O — CID 89194292

IUPAC(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
SMILESC/C=C1/C(=O)N(C)C(C)CN1C
InChIInChI=1S/C9H16N2O/c1-5-8-9(12)11(4)7(2)6-10(8)3/h5,7H,6H2,1-4H3/b8-5-
InChIKeyKBPCFGZCWZDTMD-YVMONPNESA-N
MW168.24 g/mol
LogP0.68
Rot. Bonds

About (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one

(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one (PubChem CID 89194292) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
PubChem CID89194292
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
SMILESC/C=C1/C(=O)N(C)C(C)CN1C
InChIInChI=1S/C9H16N2O/c1-5-8-9(12)11(4)7(2)6-10(8)3/h5,7H,6H2,1-4H3/b8-5-
InChIKeyKBPCFGZCWZDTMD-YVMONPNESA-N
XLogP0.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

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 (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one?
The IUPAC name of (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one (CID 89194292) is (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one?
The canonical SMILES for (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one is C/C=C1/C(=O)N(C)C(C)CN1C.
What is the InChIKey of (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one?
The InChIKey is KBPCFGZCWZDTMD-YVMONPNESA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-8-9(12)11(4)7(2)6-10(8)3/h5,7H,6H2,1-4H3/b8-5-.
What are the key properties of (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one?
(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one is sourced from PubChem (CID 89194292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).