methyl 4-(ethenylamino)benzoate

C10H11NO2 — CID 174407712

IUPACmethyl 4-(ethenylamino)benzoate
SMILESC=CNc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H11NO2/c1-3-11-9-6-4-8(5-7-9)10(12)13-2/h3-7,11H,1H2,2H3
InChIKeyZFGZRIMRAKVRPA-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.03
Rot. Bonds3

About methyl 4-(ethenylamino)benzoate

methyl 4-(ethenylamino)benzoate (PubChem CID 174407712) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 4-(ethenylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(ethenylamino)benzoate
PubChem CID174407712
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 4-(ethenylamino)benzoate
SMILESC=CNc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H11NO2/c1-3-11-9-6-4-8(5-7-9)10(12)13-2/h3-7,11H,1H2,2H3
InChIKeyZFGZRIMRAKVRPA-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 3713067
methyl 4-methylbenzoate
CID 91113291
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-methylbenzoate
CID 7455

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethenylamino)benzoate?
The IUPAC name of methyl 4-(ethenylamino)benzoate (CID 174407712) is methyl 4-(ethenylamino)benzoate.
What is the SMILES notation for methyl 4-(ethenylamino)benzoate?
The canonical SMILES for methyl 4-(ethenylamino)benzoate is C=CNc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(ethenylamino)benzoate?
The InChIKey is ZFGZRIMRAKVRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-11-9-6-4-8(5-7-9)10(12)13-2/h3-7,11H,1H2,2H3.
What are the key properties of methyl 4-(ethenylamino)benzoate?
methyl 4-(ethenylamino)benzoate has a molecular weight of 177.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethenylamino)benzoate is sourced from PubChem (CID 174407712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).