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

C13H24N2O — CID 142275888

IUPACethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
SMILESC=C(/C=C\C)C(=O)NC1CCN(C)C1.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10;1-2/h4-5,10H,2,6-8H2,1,3H3,(H,12,14);1-2H3/b5-4-;
InChIKeyZUHQNGBPDIBRIU-MKWAYWHRSA-N
MW224.35 g/mol
LogP1.97
Rot. Bonds3

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

ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide (PubChem CID 142275888) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide.

Molecular Properties

Compound Nameethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
PubChem CID142275888
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide
SMILESC=C(/C=C\C)C(=O)NC1CCN(C)C1.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10;1-2/h4-5,10H,2,6-8H2,1,3H3,(H,12,14);1-2H3/b5-4-;
InChIKeyZUHQNGBPDIBRIU-MKWAYWHRSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.97
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 ethane;(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 ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The IUPAC name of ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide (CID 142275888) is ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide.
What is the SMILES notation for ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The canonical SMILES for ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide is C=C(/C=C\C)C(=O)NC1CCN(C)C1.CC.
What is the InChIKey of ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
The InChIKey is ZUHQNGBPDIBRIU-MKWAYWHRSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-4-5-9(2)11(14)12-10-6-7-13(3)8-10;1-2/h4-5,10H,2,6-8H2,1,3H3,(H,12,14);1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide?
ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methylidene-N-(1-methylpyrrolidin-3-yl)pent-3-enamide is sourced from PubChem (CID 142275888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).