[3-(dimethylamino)phenyl] 2-methylprop-2-enoate

C12H15NO2 — CID 18954612

IUPAC[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(N(C)C)c1
InChIInChI=1S/C12H15NO2/c1-9(2)12(14)15-11-7-5-6-10(8-11)13(3)4/h5-8H,1H2,2-4H3
InChIKeyYWJAJPMGAOYROL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.23
Rot. Bonds3

About [3-(dimethylamino)phenyl] 2-methylprop-2-enoate

[3-(dimethylamino)phenyl] 2-methylprop-2-enoate (PubChem CID 18954612) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
PubChem CID18954612
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(N(C)C)c1
InChIInChI=1S/C12H15NO2/c1-9(2)12(14)15-11-7-5-6-10(8-11)13(3)4/h5-8H,1H2,2-4H3
InChIKeyYWJAJPMGAOYROL-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)phenyl] carbamate
CID 23622089
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 22602097
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
[3-(dimethylamino)phenyl] 4-(hydroxymethyl)benzoate
CID 118525315

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(dimethylamino)phenyl] 2-methylprop-2-enoate (CID 18954612) is [3-(dimethylamino)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(dimethylamino)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(dimethylamino)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(N(C)C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl] 2-methylprop-2-enoate?
The InChIKey is YWJAJPMGAOYROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)12(14)15-11-7-5-6-10(8-11)13(3)4/h5-8H,1H2,2-4H3.
What are the key properties of [3-(dimethylamino)phenyl] 2-methylprop-2-enoate?
[3-(dimethylamino)phenyl] 2-methylprop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18954612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).