methyl 2-(1-propan-2-ylindol-3-yl)acetate

C14H17NO2 — CID 139389299

IUPACmethyl 2-(1-propan-2-ylindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-10(2)15-9-11(8-14(16)17-3)12-6-4-5-7-13(12)15/h4-7,9-10H,8H2,1-3H3
InChIKeyYBIBJHIYWBTDLO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(1-propan-2-ylindol-3-yl)acetate

methyl 2-(1-propan-2-ylindol-3-yl)acetate (PubChem CID 139389299) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl 2-(1-propan-2-ylindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-ylindol-3-yl)acetate
PubChem CID139389299
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-(1-propan-2-ylindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-10(2)15-9-11(8-14(16)17-3)12-6-4-5-7-13(12)15/h4-7,9-10H,8H2,1-3H3
InChIKeyYBIBJHIYWBTDLO-UHFFFAOYSA-N
XLogP2.94
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71704004
N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71706266
N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide
CID 71706138

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-ylindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-propan-2-ylindol-3-yl)acetate (CID 139389299) is methyl 2-(1-propan-2-ylindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-propan-2-ylindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-propan-2-ylindol-3-yl)acetate is COC(=O)Cc1cn(C(C)C)c2ccccc12.
What is the InChIKey of methyl 2-(1-propan-2-ylindol-3-yl)acetate?
The InChIKey is YBIBJHIYWBTDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)15-9-11(8-14(16)17-3)12-6-4-5-7-13(12)15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-ylindol-3-yl)acetate?
methyl 2-(1-propan-2-ylindol-3-yl)acetate has a molecular weight of 231.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-ylindol-3-yl)acetate is sourced from PubChem (CID 139389299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).