propan-2-yl 1H-indole-2-carboxylate

C12H13NO2 — CID 1233904

IUPACpropan-2-yl 1H-indole-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13NO2/c1-8(2)15-12(14)11-7-9-5-3-4-6-10(9)13-11/h3-8,13H,1-2H3
InChIKeyDEQPQVNEKHSACA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.73
Rot. Bonds2

About propan-2-yl 1H-indole-2-carboxylate

propan-2-yl 1H-indole-2-carboxylate (PubChem CID 1233904) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is propan-2-yl 1H-indole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1H-indole-2-carboxylate
PubChem CID1233904
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namepropan-2-yl 1H-indole-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H13NO2/c1-8(2)15-12(14)11-7-9-5-3-4-6-10(9)13-11/h3-8,13H,1-2H3
InChIKeyDEQPQVNEKHSACA-UHFFFAOYSA-N
XLogP2.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1H-indole-2-carboxylate?
The IUPAC name of propan-2-yl 1H-indole-2-carboxylate (CID 1233904) is propan-2-yl 1H-indole-2-carboxylate.
What is the SMILES notation for propan-2-yl 1H-indole-2-carboxylate?
The canonical SMILES for propan-2-yl 1H-indole-2-carboxylate is CC(C)OC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of propan-2-yl 1H-indole-2-carboxylate?
The InChIKey is DEQPQVNEKHSACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(2)15-12(14)11-7-9-5-3-4-6-10(9)13-11/h3-8,13H,1-2H3.
What are the key properties of propan-2-yl 1H-indole-2-carboxylate?
propan-2-yl 1H-indole-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1H-indole-2-carboxylate is sourced from PubChem (CID 1233904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).