dimethylamino (E)-5-phenylpent-4-enoate

C13H17NO2 — CID 174423096

IUPACdimethylamino (E)-5-phenylpent-4-enoate
SMILESCN(C)OC(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-14(2)16-13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10H,7,11H2,1-2H3/b10-6+
InChIKeyUEYFOYVVUZRIEB-UXBLZVDNSA-N
MW219.28 g/mol
LogP2.50
Rot. Bonds5

About dimethylamino (E)-5-phenylpent-4-enoate

dimethylamino (E)-5-phenylpent-4-enoate (PubChem CID 174423096) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is dimethylamino (E)-5-phenylpent-4-enoate.

Molecular Properties

Compound Namedimethylamino (E)-5-phenylpent-4-enoate
PubChem CID174423096
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namedimethylamino (E)-5-phenylpent-4-enoate
SMILESCN(C)OC(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-14(2)16-13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10H,7,11H2,1-2H3/b10-6+
InChIKeyUEYFOYVVUZRIEB-UXBLZVDNSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethylamino (E)-5-phenylpent-4-enoate 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

ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
(E)-5-phenylpent-4-enoic acid
CID 5370650
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
7-phenylhept-6-en-2-one
CID 582607
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 66486373

Frequently Asked Questions

What is the IUPAC name of dimethylamino (E)-5-phenylpent-4-enoate?
The IUPAC name of dimethylamino (E)-5-phenylpent-4-enoate (CID 174423096) is dimethylamino (E)-5-phenylpent-4-enoate.
What is the SMILES notation for dimethylamino (E)-5-phenylpent-4-enoate?
The canonical SMILES for dimethylamino (E)-5-phenylpent-4-enoate is CN(C)OC(=O)CC/C=C/c1ccccc1.
What is the InChIKey of dimethylamino (E)-5-phenylpent-4-enoate?
The InChIKey is UEYFOYVVUZRIEB-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(2)16-13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10H,7,11H2,1-2H3/b10-6+.
What are the key properties of dimethylamino (E)-5-phenylpent-4-enoate?
dimethylamino (E)-5-phenylpent-4-enoate has a molecular weight of 219.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino (E)-5-phenylpent-4-enoate is sourced from PubChem (CID 174423096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).