(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one

C11H20N2O — CID 89063960

IUPAC(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESC/C=C1/C(=O)N(C(C)C)C(C)CN1C
InChIInChI=1S/C11H20N2O/c1-6-10-11(14)13(8(2)3)9(4)7-12(10)5/h6,8-9H,7H2,1-5H3/b10-6-
InChIKeySJKXTIHATDMLQB-POHAHGRESA-N
MW196.29 g/mol
LogP1.46
Rot. Bonds1

About (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one

(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 89063960) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID89063960
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESC/C=C1/C(=O)N(C(C)C)C(C)CN1C
InChIInChI=1S/C11H20N2O/c1-6-10-11(14)13(8(2)3)9(4)7-12(10)5/h6,8-9H,7H2,1-5H3/b10-6-
InChIKeySJKXTIHATDMLQB-POHAHGRESA-N
XLogP1.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.46
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-4,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 89063960) is (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one is C/C=C1/C(=O)N(C(C)C)C(C)CN1C.
What is the InChIKey of (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is SJKXTIHATDMLQB-POHAHGRESA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-10-11(14)13(8(2)3)9(4)7-12(10)5/h6,8-9H,7H2,1-5H3/b10-6-.
What are the key properties of (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one?
(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 89063960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).