methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate

C15H15NO2 — CID 14361996

IUPACmethyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate
SMILESC/C=C/c1[nH]c2ccccc2c1/C=C/C(=O)OC
InChIInChI=1S/C15H15NO2/c1-3-6-13-12(9-10-15(17)18-2)11-7-4-5-8-14(11)16-13/h3-10,16H,1-2H3/b6-3+,10-9+
InChIKeyZEAXFORGNBUBQA-YGTBBBQQSA-N
MW241.29 g/mol
LogP3.39
Rot. Bonds3

About methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate

methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate (PubChem CID 14361996) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate
PubChem CID14361996
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate
SMILESC/C=C/c1[nH]c2ccccc2c1/C=C/C(=O)OC
InChIInChI=1S/C15H15NO2/c1-3-6-13-12(9-10-15(17)18-2)11-7-4-5-8-14(11)16-13/h3-10,16H,1-2H3/b6-3+,10-9+
InChIKeyZEAXFORGNBUBQA-YGTBBBQQSA-N
XLogP3.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-phenyl-1H-indol-3-yl)prop-2-enoate
CID 72733964
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CID 102374374
methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
CID 162411869
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
CID 143138999
methyl (E)-3-[(6E)-6-[(2-hydroxy-1H-indol-3-yl)methylidene]indazol-3-yl]prop-2-enoate
CID 135989009
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl (E)-3-(2-formyl-1-methylindol-3-yl)prop-2-enoate
CID 14642760
methyl (E)-3-(5-methoxy-3-methyl-1H-indol-2-yl)prop-2-enoate
CID 170857437
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
ethyl (E)-3-[3-[2-[[(E)-but-2-enoyl]amino]ethyl]-1H-indol-2-yl]prop-2-enoate
CID 13333672
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate (CID 14361996) is methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate is C/C=C/c1[nH]c2ccccc2c1/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate?
The InChIKey is ZEAXFORGNBUBQA-YGTBBBQQSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-6-13-12(9-10-15(17)18-2)11-7-4-5-8-14(11)16-13/h3-10,16H,1-2H3/b6-3+,10-9+.
What are the key properties of methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate?
methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate is sourced from PubChem (CID 14361996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).