(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one

C11H13NO2 — CID 102474509

IUPAC(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1C=C
InChIInChI=1S/C11H13NO2/c1-4-8-7-9(5-2)12(11(8)14)10(13)6-3/h4-6,8-9H,1-3,7H2/t8-,9+/m0/s1
InChIKeyXXEYSPZHAWMANX-DTWKUNHWSA-N
MW191.23 g/mol
LogP1.29
Rot. Bonds3

About (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one

(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one (PubChem CID 102474509) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one
PubChem CID102474509
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1C=C
InChIInChI=1S/C11H13NO2/c1-4-8-7-9(5-2)12(11(8)14)10(13)6-3/h4-6,8-9H,1-3,7H2/t8-,9+/m0/s1
InChIKeyXXEYSPZHAWMANX-DTWKUNHWSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-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 (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one (CID 102474509) is (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one is C=CC(=O)N1C(=O)[C@@H](C=C)C[C@H]1C=C.
What is the InChIKey of (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one?
The InChIKey is XXEYSPZHAWMANX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-8-7-9(5-2)12(11(8)14)10(13)6-3/h4-6,8-9H,1-3,7H2/t8-,9+/m0/s1.
What are the key properties of (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one?
(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 102474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).