(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one

C11H22N2O — CID 59155341

IUPAC(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
SMILESCCN(CC)CCN/C(C)=C\C(C)=O
InChIInChI=1S/C11H22N2O/c1-5-13(6-2)8-7-12-10(3)9-11(4)14/h9,12H,5-8H2,1-4H3/b10-9-
InChIKeyXEHBTAOJHIADMX-KTKRTIGZSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds7

About (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one

(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one (PubChem CID 59155341) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
PubChem CID59155341
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
SMILESCCN(CC)CCN/C(C)=C\C(C)=O
InChIInChI=1S/C11H22N2O/c1-5-13(6-2)8-7-12-10(3)9-11(4)14/h9,12H,5-8H2,1-4H3/b10-9-
InChIKeyXEHBTAOJHIADMX-KTKRTIGZSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
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 (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one (CID 59155341) is (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one is CCN(CC)CCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one?
The InChIKey is XEHBTAOJHIADMX-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-13(6-2)8-7-12-10(3)9-11(4)14/h9,12H,5-8H2,1-4H3/b10-9-.
What are the key properties of (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one?
(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one is sourced from PubChem (CID 59155341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).