methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate

C13H13NO2 — CID 67563454

IUPACmethyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H13NO2/c1-14-8-7-11-9-10(3-5-12(11)14)4-6-13(15)16-2/h3-9H,1-2H3/b6-4+
InChIKeyFATDMFNWQLWPEL-GQCTYLIASA-N
MW215.25 g/mol
LogP2.36
Rot. Bonds2

About methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate

methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate (PubChem CID 67563454) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
PubChem CID67563454
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H13NO2/c1-14-8-7-11-9-10(3-5-12(11)14)4-6-13(15)16-2/h3-9H,1-2H3/b6-4+
InChIKeyFATDMFNWQLWPEL-GQCTYLIASA-N
XLogP2.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[1-(2-methylphenyl)indol-5-yl]prop-2-enoate
CID 154926307
6-(3-methoxy-3-oxoprop-1-enyl)indole-1-carboxylic acid
CID 74020644
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
6-(1-methylindol-6-yl)hex-5-ene-2,4-dione
CID 123897183
methyl 3-[2-(aminomethyl)-1-methylbenzimidazol-5-yl]prop-2-enoate
CID 68616993
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methyl 3-[4-hydroxy-3-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54338609
methyl 5-formylindole-1-carboxylate
CID 59927720
amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate
CID 58460261
5-methoxy-1-methylindole
CID 819864

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate (CID 67563454) is methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate is COC(=O)/C=C/c1ccc2c(ccn2C)c1.
What is the InChIKey of methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate?
The InChIKey is FATDMFNWQLWPEL-GQCTYLIASA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-8-7-11-9-10(3-5-12(11)14)4-6-13(15)16-2/h3-9H,1-2H3/b6-4+.
What are the key properties of methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate?
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate is sourced from PubChem (CID 67563454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).