2-(dimethylamino)benzoic acid;ethene

C11H15NO2 — CID 157119009

IUPAC2-(dimethylamino)benzoic acid;ethene
SMILESC=C.CN(C)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO2.C2H4/c1-10(2)8-6-4-3-5-7(8)9(11)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H2
InChIKeyAHSWWYHKKHJZIC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.25
Rot. Bonds2

About 2-(dimethylamino)benzoic acid;ethene

2-(dimethylamino)benzoic acid;ethene (PubChem CID 157119009) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(dimethylamino)benzoic acid;ethene.

Molecular Properties

Compound Name2-(dimethylamino)benzoic acid;ethene
PubChem CID157119009
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(dimethylamino)benzoic acid;ethene
SMILESC=C.CN(C)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO2.C2H4/c1-10(2)8-6-4-3-5-7(8)9(11)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H2
InChIKeyAHSWWYHKKHJZIC-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)benzoic acid;2-methylprop-2-enoic acid
CID 146636076
2-(dimethylamino)benzoic acid;ethenyl acetate
CID 158164253
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2,3-bis(dimethylamino)benzoic acid
CID 19707647
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
CID 67341190
CID 67341190
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
CID 174469049
CID 174469049
2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
CID 131615680
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
1-[2-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone
CID 18330797
formaldehyde;phthalic acid
CID 174659618

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)benzoic acid;ethene?
The IUPAC name of 2-(dimethylamino)benzoic acid;ethene (CID 157119009) is 2-(dimethylamino)benzoic acid;ethene.
What is the SMILES notation for 2-(dimethylamino)benzoic acid;ethene?
The canonical SMILES for 2-(dimethylamino)benzoic acid;ethene is C=C.CN(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)benzoic acid;ethene?
The InChIKey is AHSWWYHKKHJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H4/c1-10(2)8-6-4-3-5-7(8)9(11)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H2.
What are the key properties of 2-(dimethylamino)benzoic acid;ethene?
2-(dimethylamino)benzoic acid;ethene has a molecular weight of 193.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)benzoic acid;ethene is sourced from PubChem (CID 157119009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).