(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one

C11H17NO — CID 101173596

IUPAC(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CC[C@H]1C(=O)C[C@H](C)N1CC=C
InChIInChI=1S/C11H17NO/c1-4-6-10-11(13)8-9(3)12(10)7-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1
InChIKeyMDBGDLXNJTUXNF-UWVGGRQHSA-N
MW179.26 g/mol
LogP1.78
Rot. Bonds4

About (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one

(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one (PubChem CID 101173596) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one
PubChem CID101173596
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CC[C@H]1C(=O)C[C@H](C)N1CC=C
InChIInChI=1S/C11H17NO/c1-4-6-10-11(13)8-9(3)12(10)7-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1
InChIKeyMDBGDLXNJTUXNF-UWVGGRQHSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-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 (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The IUPAC name of (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one (CID 101173596) is (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one.
What is the SMILES notation for (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The canonical SMILES for (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one is C=CC[C@H]1C(=O)C[C@H](C)N1CC=C.
What is the InChIKey of (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The InChIKey is MDBGDLXNJTUXNF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-10-11(13)8-9(3)12(10)7-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one?
(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one is sourced from PubChem (CID 101173596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).