methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate

C12H15NO2 — CID 169464038

IUPACmethyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C=CCN)c1
InChIInChI=1S/C12H15NO2/c1-15-12(14)9-11-5-2-4-10(8-11)6-3-7-13/h2-6,8H,7,9,13H2,1H3
InChIKeyFSIVZUIACDPYEL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.37
Rot. Bonds4

About methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate

methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate (PubChem CID 169464038) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
PubChem CID169464038
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C=CCN)c1
InChIInChI=1S/C12H15NO2/c1-15-12(14)9-11-5-2-4-10(8-11)6-3-7-13/h2-6,8H,7,9,13H2,1H3
InChIKeyFSIVZUIACDPYEL-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-hydroxybut-1-enyl)phenyl]acetate
CID 170477090
methyl 2-[3-[4-(methylamino)but-1-enyl]phenyl]acetate
CID 170496282
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate
CID 86082694
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
CID 67100185
methyl (E)-3-[3-(aminomethyl)phenyl]prop-2-enoate;hydrochloride
CID 66927514
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
methyl 2-(3-propylphenyl)acetate
CID 89333992

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate (CID 169464038) is methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate is COC(=O)Cc1cccc(C=CCN)c1.
What is the InChIKey of methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate?
The InChIKey is FSIVZUIACDPYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)9-11-5-2-4-10(8-11)6-3-7-13/h2-6,8H,7,9,13H2,1H3.
What are the key properties of methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate?
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate has a molecular weight of 205.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate is sourced from PubChem (CID 169464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).