methyl 4-[bis(prop-2-enyl)amino]benzoate

C14H17NO2 — CID 11806509

IUPACmethyl 4-[bis(prop-2-enyl)amino]benzoate
SMILESC=CCN(CC=C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H17NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h4-9H,1-2,10-11H2,3H3
InChIKeyNBIYGCGEXWPOBA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.65
Rot. Bonds6

About methyl 4-[bis(prop-2-enyl)amino]benzoate

methyl 4-[bis(prop-2-enyl)amino]benzoate (PubChem CID 11806509) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-[bis(prop-2-enyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[bis(prop-2-enyl)amino]benzoate
PubChem CID11806509
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl 4-[bis(prop-2-enyl)amino]benzoate
SMILESC=CCN(CC=C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H17NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h4-9H,1-2,10-11H2,3H3
InChIKeyNBIYGCGEXWPOBA-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.65
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 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
methyl 4-(ethenylamino)benzoate
CID 174407712
3-[4-(dimethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317597
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
methyl 4-[3-oxo-3-(N-prop-2-enylanilino)prop-1-enyl]benzoate
CID 76859244
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676

Frequently Asked Questions

What is the IUPAC name of methyl 4-[bis(prop-2-enyl)amino]benzoate?
The IUPAC name of methyl 4-[bis(prop-2-enyl)amino]benzoate (CID 11806509) is methyl 4-[bis(prop-2-enyl)amino]benzoate.
What is the SMILES notation for methyl 4-[bis(prop-2-enyl)amino]benzoate?
The canonical SMILES for methyl 4-[bis(prop-2-enyl)amino]benzoate is C=CCN(CC=C)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[bis(prop-2-enyl)amino]benzoate?
The InChIKey is NBIYGCGEXWPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-15(11-5-2)13-8-6-12(7-9-13)14(16)17-3/h4-9H,1-2,10-11H2,3H3.
What are the key properties of methyl 4-[bis(prop-2-enyl)amino]benzoate?
methyl 4-[bis(prop-2-enyl)amino]benzoate has a molecular weight of 231.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[bis(prop-2-enyl)amino]benzoate is sourced from PubChem (CID 11806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).