propan-2-yl 2-(2-methylindol-1-yl)acetate

C14H17NO2 — CID 54940863

IUPACpropan-2-yl 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OC(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)17-14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyLOBGFMFWJGAYMC-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.90
Rot. Bonds3

About propan-2-yl 2-(2-methylindol-1-yl)acetate

propan-2-yl 2-(2-methylindol-1-yl)acetate (PubChem CID 54940863) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is propan-2-yl 2-(2-methylindol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-methylindol-1-yl)acetate
PubChem CID54940863
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namepropan-2-yl 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OC(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)17-14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyLOBGFMFWJGAYMC-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-methylindol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(2-methylindol-1-yl)acetate (CID 54940863) is propan-2-yl 2-(2-methylindol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2-methylindol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2-methylindol-1-yl)acetate is Cc1cc2ccccc2n1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-methylindol-1-yl)acetate?
The InChIKey is LOBGFMFWJGAYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)17-14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-methylindol-1-yl)acetate?
propan-2-yl 2-(2-methylindol-1-yl)acetate has a molecular weight of 231.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-methylindol-1-yl)acetate is sourced from PubChem (CID 54940863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).