dimethylamino (E)-3-phenylprop-2-enoate

C11H13NO2 — CID 174325231

IUPACdimethylamino (E)-3-phenylprop-2-enoate
SMILESCN(C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)14-11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKeyJDDXWNBXMYTJNS-CMDGGOBGSA-N
MW191.23 g/mol
LogP1.72
Rot. Bonds3

About dimethylamino (E)-3-phenylprop-2-enoate

dimethylamino (E)-3-phenylprop-2-enoate (PubChem CID 174325231) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is dimethylamino (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namedimethylamino (E)-3-phenylprop-2-enoate
PubChem CID174325231
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namedimethylamino (E)-3-phenylprop-2-enoate
SMILESCN(C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)14-11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKeyJDDXWNBXMYTJNS-CMDGGOBGSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
CID 175667784
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
acetyl 3-phenylprop-2-enoate
CID 57206996
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
trimethoxysilyl (E)-3-phenylprop-2-enoate
CID 68833858
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
CID 9415418

Frequently Asked Questions

What is the IUPAC name of dimethylamino (E)-3-phenylprop-2-enoate?
The IUPAC name of dimethylamino (E)-3-phenylprop-2-enoate (CID 174325231) is dimethylamino (E)-3-phenylprop-2-enoate.
What is the SMILES notation for dimethylamino (E)-3-phenylprop-2-enoate?
The canonical SMILES for dimethylamino (E)-3-phenylprop-2-enoate is CN(C)OC(=O)/C=C/c1ccccc1.
What is the InChIKey of dimethylamino (E)-3-phenylprop-2-enoate?
The InChIKey is JDDXWNBXMYTJNS-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)14-11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+.
What are the key properties of dimethylamino (E)-3-phenylprop-2-enoate?
dimethylamino (E)-3-phenylprop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 174325231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).