(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one

C11H18N2O — CID 12744626

IUPAC(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/N1CCCC1)N1CCCC1
InChIInChI=1S/C11H18N2O/c14-11(13-8-3-4-9-13)5-10-12-6-1-2-7-12/h5,10H,1-4,6-9H2/b10-5+
InChIKeyMVUGNZDGVYUAID-BJMVGYQFSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds2

About (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one

(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one (PubChem CID 12744626) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one
PubChem CID12744626
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/N1CCCC1)N1CCCC1
InChIInChI=1S/C11H18N2O/c14-11(13-8-3-4-9-13)5-10-12-6-1-2-7-12/h5,10H,1-4,6-9H2/b10-5+
InChIKeyMVUGNZDGVYUAID-BJMVGYQFSA-N
XLogP1.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
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)-1,3-dipyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one (CID 12744626) is (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one is O=C(/C=C/N1CCCC1)N1CCCC1.
What is the InChIKey of (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is MVUGNZDGVYUAID-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(13-8-3-4-9-13)5-10-12-6-1-2-7-12/h5,10H,1-4,6-9H2/b10-5+.
What are the key properties of (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one?
(E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dipyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 12744626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).