(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one

C12H20N2O — CID 126491189

IUPAC(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
SMILESO=C(/C=C/CN1CCCC1)N1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-10-3-4-11-14)6-5-9-13-7-1-2-8-13/h5-6H,1-4,7-11H2/b6-5+
InChIKeyZHGYGMFZGOVCDK-AATRIKPKSA-N
MW208.30 g/mol
LogP1.26
Rot. Bonds3

About (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one

(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one (PubChem CID 126491189) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
PubChem CID126491189
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
SMILESO=C(/C=C/CN1CCCC1)N1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-10-3-4-11-14)6-5-9-13-7-1-2-8-13/h5-6H,1-4,7-11H2/b6-5+
InChIKeyZHGYGMFZGOVCDK-AATRIKPKSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.26
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 (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one?
The IUPAC name of (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one (CID 126491189) is (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one?
The canonical SMILES for (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one is O=C(/C=C/CN1CCCC1)N1CCCC1.
What is the InChIKey of (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one?
The InChIKey is ZHGYGMFZGOVCDK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(14-10-3-4-11-14)6-5-9-13-7-1-2-8-13/h5-6H,1-4,7-11H2/b6-5+.
What are the key properties of (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one?
(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 126491189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).