(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide

C11H18N2O — CID 142275889

IUPAC(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
SMILESC=C(/C=C\C)C(=O)NC1CCN(C)C1
InChIInChI=1S/C11H18N2O/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10/h4-5,10H,2,6-8H2,1,3H3,(H,12,14)/b5-4-
InChIKeyZLIBBNCRCISAER-PLNGDYQASA-N
MW194.28 g/mol
LogP0.94
Rot. Bonds3

About (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide

(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide (PubChem CID 142275889) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide.

Molecular Properties

Compound Name(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
PubChem CID142275889
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
SMILESC=C(/C=C\C)C(=O)NC1CCN(C)C1
InChIInChI=1S/C11H18N2O/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10/h4-5,10H,2,6-8H2,1,3H3,(H,12,14)/b5-4-
InChIKeyZLIBBNCRCISAER-PLNGDYQASA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide 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 (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The IUPAC name of (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide (CID 142275889) is (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide.
What is the SMILES notation for (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The canonical SMILES for (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide is C=C(/C=C\C)C(=O)NC1CCN(C)C1.
What is the InChIKey of (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The InChIKey is ZLIBBNCRCISAER-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10/h4-5,10H,2,6-8H2,1,3H3,(H,12,14)/b5-4-.
What are the key properties of (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide has a molecular weight of 194.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide is sourced from PubChem (CID 142275889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).