methyl 2-[methyl(prop-2-enyl)amino]benzoate

C12H15NO2 — CID 60695038

IUPACmethyl 2-[methyl(prop-2-enyl)amino]benzoate
SMILESC=CCN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C12H15NO2/c1-4-9-13(2)11-8-6-5-7-10(11)12(14)15-3/h4-8H,1,9H2,2-3H3
InChIKeyVUGGHZYCTPVMDS-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-[methyl(prop-2-enyl)amino]benzoate

methyl 2-[methyl(prop-2-enyl)amino]benzoate (PubChem CID 60695038) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-[methyl(prop-2-enyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(prop-2-enyl)amino]benzoate
PubChem CID60695038
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-[methyl(prop-2-enyl)amino]benzoate
SMILESC=CCN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C12H15NO2/c1-4-9-13(2)11-8-6-5-7-10(11)12(14)15-3/h4-8H,1,9H2,2-3H3
InChIKeyVUGGHZYCTPVMDS-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
2-[bis(prop-2-enyl)amino]-6-methoxycarbonylbenzoic acid
CID 70624885
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116
3-(2-methoxycarbonyl-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79619521
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
methyl 2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 62626101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(prop-2-enyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl(prop-2-enyl)amino]benzoate (CID 60695038) is methyl 2-[methyl(prop-2-enyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl(prop-2-enyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl(prop-2-enyl)amino]benzoate is C=CCN(C)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[methyl(prop-2-enyl)amino]benzoate?
The InChIKey is VUGGHZYCTPVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-9-13(2)11-8-6-5-7-10(11)12(14)15-3/h4-8H,1,9H2,2-3H3.
What are the key properties of methyl 2-[methyl(prop-2-enyl)amino]benzoate?
methyl 2-[methyl(prop-2-enyl)amino]benzoate has a molecular weight of 205.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(prop-2-enyl)amino]benzoate is sourced from PubChem (CID 60695038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).