ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride

C11H14ClNO2 — CID 70254002

IUPACethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
SMILESCCOC(=O)C=Cc1ccccc1N.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12;/h3-8H,2,12H2,1H3;1H
InChIKeyCDJMSDALOZZNDS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.27
Rot. Bonds3

About ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride

ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride (PubChem CID 70254002) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
PubChem CID70254002
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
SMILESCCOC(=O)C=Cc1ccccc1N.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12;/h3-8H,2,12H2,1H3;1H
InChIKeyCDJMSDALOZZNDS-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
ethyl 3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 169480315
ethyl (Z)-3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 135341226
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride?
The IUPAC name of ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride (CID 70254002) is ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride.
What is the SMILES notation for ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride?
The canonical SMILES for ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride is CCOC(=O)C=Cc1ccccc1N.Cl.
What is the InChIKey of ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride?
The InChIKey is CDJMSDALOZZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12;/h3-8H,2,12H2,1H3;1H.
What are the key properties of ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride?
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride is sourced from PubChem (CID 70254002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).