(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one

C11H17NO — CID 131234525

IUPAC(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/C1CCC1)N1CCCC1
InChIInChI=1S/C11H17NO/c13-11(12-8-1-2-9-12)7-6-10-4-3-5-10/h6-7,10H,1-5,8-9H2/b7-6+
InChIKeyUHJSGVLAIPSUKE-VOTSOKGWSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds2

About (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one

(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 131234525) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID131234525
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/C1CCC1)N1CCCC1
InChIInChI=1S/C11H17NO/c13-11(12-8-1-2-9-12)7-6-10-4-3-5-10/h6-7,10H,1-5,8-9H2/b7-6+
InChIKeyUHJSGVLAIPSUKE-VOTSOKGWSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one (CID 131234525) is (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one is O=C(/C=C/C1CCC1)N1CCCC1.
What is the InChIKey of (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is UHJSGVLAIPSUKE-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(12-8-1-2-9-12)7-6-10-4-3-5-10/h6-7,10H,1-5,8-9H2/b7-6+.
What are the key properties of (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one?
(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 131234525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).