prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate

C14H17NO2 — CID 67624373

IUPACprop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
SMILESC=CCOC(=O)C(C=Cc1ccccc1)NC
InChIInChI=1S/C14H17NO2/c1-3-11-17-14(16)13(15-2)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1,11H2,2H3
InChIKeyVMTKHZKYMOKBKT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.02
Rot. Bonds6

About prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate

prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate (PubChem CID 67624373) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
PubChem CID67624373
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameprop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
SMILESC=CCOC(=O)C(C=Cc1ccccc1)NC
InChIInChI=1S/C14H17NO2/c1-3-11-17-14(16)13(15-2)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1,11H2,2H3
InChIKeyVMTKHZKYMOKBKT-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (E,3R)-2-acetyl-3-(methoxycarbonylamino)-5-phenylpent-4-enoate
CID 102186140
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
[(E)-4-phenylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10776819
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
CID 24895615
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
prop-2-enyl 2-benzamidopropanoate
CID 2910482
[(1E,3R)-1-phenylhexa-1,5-dien-3-yl] (2S)-2-acetyloxy-2-phenylacetate
CID 10315870

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate?
The IUPAC name of prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate (CID 67624373) is prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate.
What is the SMILES notation for prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate?
The canonical SMILES for prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate is C=CCOC(=O)C(C=Cc1ccccc1)NC.
What is the InChIKey of prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate?
The InChIKey is VMTKHZKYMOKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-11-17-14(16)13(15-2)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1,11H2,2H3.
What are the key properties of prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate?
prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate has a molecular weight of 231.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate is sourced from PubChem (CID 67624373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).