methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate

C13H13NO2 — CID 68733352

IUPACmethyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
SMILESC=C(Cc1cc2ccccc2[nH]1)C(=O)OC
InChIInChI=1S/C13H13NO2/c1-9(13(15)16-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8,14H,1,7H2,2H3
InChIKeyFARRSNNPROXTMZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate

methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate (PubChem CID 68733352) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
PubChem CID68733352
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
SMILESC=C(Cc1cc2ccccc2[nH]1)C(=O)OC
InChIInChI=1S/C13H13NO2/c1-9(13(15)16-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8,14H,1,7H2,2H3
InChIKeyFARRSNNPROXTMZ-UHFFFAOYSA-N
XLogP2.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.44
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

ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
CID 70109234
methyl 2-(phenanthren-9-ylmethyl)prop-2-enoate
CID 87618745
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
2-(1H-indol-2-yl)-N-methoxyethanamine
CID 154141059
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1H-indol-2-ylmethyl 2-aminoacetate
CID 67228624
1H-indol-2-ylmethylcarbamic acid
CID 68691362
4-(1H-indol-2-yl)butan-2-one
CID 10954278
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate (CID 68733352) is methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate is C=C(Cc1cc2ccccc2[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate?
The InChIKey is FARRSNNPROXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(13(15)16-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8,14H,1,7H2,2H3.
What are the key properties of methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate?
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate is sourced from PubChem (CID 68733352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).