(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one

C11H18N2O — CID 89015773

IUPAC(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one
SMILESCC/C=C1\C/C(=N\CC)N(CC)C1=O
InChIInChI=1S/C11H18N2O/c1-4-7-9-8-10(12-5-2)13(6-3)11(9)14/h7H,4-6,8H2,1-3H3/b9-7+,12-10+
InChIKeyDIUIRTPSBSKXRB-LKJUMTHSSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds3

About (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one

(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one (PubChem CID 89015773) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one
PubChem CID89015773
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one
SMILESCC/C=C1\C/C(=N\CC)N(CC)C1=O
InChIInChI=1S/C11H18N2O/c1-4-7-9-8-10(12-5-2)13(6-3)11(9)14/h7H,4-6,8H2,1-3H3/b9-7+,12-10+
InChIKeyDIUIRTPSBSKXRB-LKJUMTHSSA-N
XLogP1.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one?
The IUPAC name of (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one (CID 89015773) is (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one.
What is the SMILES notation for (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one?
The canonical SMILES for (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one is CC/C=C1\C/C(=N\CC)N(CC)C1=O.
What is the InChIKey of (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one?
The InChIKey is DIUIRTPSBSKXRB-LKJUMTHSSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-9-8-10(12-5-2)13(6-3)11(9)14/h7H,4-6,8H2,1-3H3/b9-7+,12-10+.
What are the key properties of (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one?
(3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-5-ethylimino-3-propylidenepyrrolidin-2-one is sourced from PubChem (CID 89015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).