methyl (2E)-2-acetamidopenta-2,4-dienoate

C8H11NO3 — CID 101173964

IUPACmethyl (2E)-2-acetamidopenta-2,4-dienoate
SMILESC=C/C=C(/NC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h4-5H,1H2,2-3H3,(H,9,10)/b7-5+
InChIKeyDRLOHFUGXAHKLH-FNORWQNLSA-N
MW169.18 g/mol
LogP0.37
Rot. Bonds3

About methyl (2E)-2-acetamidopenta-2,4-dienoate

methyl (2E)-2-acetamidopenta-2,4-dienoate (PubChem CID 101173964) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl (2E)-2-acetamidopenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E)-2-acetamidopenta-2,4-dienoate
PubChem CID101173964
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl (2E)-2-acetamidopenta-2,4-dienoate
SMILESC=C/C=C(/NC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h4-5H,1H2,2-3H3,(H,9,10)/b7-5+
InChIKeyDRLOHFUGXAHKLH-FNORWQNLSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-acetamidopenta-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
methyl (2Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]penta-2,4-dienoate
CID 101448567
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium
CID 160829932
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
CID 89197729
(3-acetamido-4-methoxy-4-oxobut-2-enyl)-methylphosphinic acid
CID 88606475
methyl (Z)-2-acetamido-5-methylhex-2-enoate
CID 101077092
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
methyl (Z)-2-acetamido-5-methylsulfanylpent-2-enoate
CID 135083629
methyl (E)-2-acetamido-3-pyridin-4-ylprop-2-enoate
CID 121219344
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-acetamidopenta-2,4-dienoate?
The IUPAC name of methyl (2E)-2-acetamidopenta-2,4-dienoate (CID 101173964) is methyl (2E)-2-acetamidopenta-2,4-dienoate.
What is the SMILES notation for methyl (2E)-2-acetamidopenta-2,4-dienoate?
The canonical SMILES for methyl (2E)-2-acetamidopenta-2,4-dienoate is C=C/C=C(/NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2E)-2-acetamidopenta-2,4-dienoate?
The InChIKey is DRLOHFUGXAHKLH-FNORWQNLSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h4-5H,1H2,2-3H3,(H,9,10)/b7-5+.
What are the key properties of methyl (2E)-2-acetamidopenta-2,4-dienoate?
methyl (2E)-2-acetamidopenta-2,4-dienoate has a molecular weight of 169.18 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-acetamidopenta-2,4-dienoate is sourced from PubChem (CID 101173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).