1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one

C12H20N2O — CID 89357858

IUPAC1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)C/C1=C/C
InChIInChI=1S/C12H20N2O/c1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-
InChIKeyWEZDHEFSRJPGCI-WZUFQYTHSA-N
MW208.30 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one

1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 89357858) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
PubChem CID89357858
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)C/C1=C/C
InChIInChI=1S/C12H20N2O/c1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-
InChIKeyWEZDHEFSRJPGCI-WZUFQYTHSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.63
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 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (CID 89357858) is 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(C)C)C/C1=C/C.
What is the InChIKey of 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The InChIKey is WEZDHEFSRJPGCI-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-.
What are the key properties of 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethylidene-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 89357858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).