(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide

C11H20N2O — CID 59032695

IUPAC(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
SMILESCC(C)/C=C/CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-7-13-8-4-6-10(13)11(12)14/h3,5,9-10H,4,6-8H2,1-2H3,(H2,12,14)/b5-3+/t10-/m0/s1
InChIKeyFEFDBBTXMVUTGJ-GFAPAMAISA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds4

About (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide

(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide (PubChem CID 59032695) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
PubChem CID59032695
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
SMILESCC(C)/C=C/CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-7-13-8-4-6-10(13)11(12)14/h3,5,9-10H,4,6-8H2,1-2H3,(H2,12,14)/b5-3+/t10-/m0/s1
InChIKeyFEFDBBTXMVUTGJ-GFAPAMAISA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide 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)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide (CID 59032695) is (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide is CC(C)/C=C/CN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The InChIKey is FEFDBBTXMVUTGJ-GFAPAMAISA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)5-3-7-13-8-4-6-10(13)11(12)14/h3,5,9-10H,4,6-8H2,1-2H3,(H2,12,14)/b5-3+/t10-/m0/s1.
What are the key properties of (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59032695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).