propan-2-yl 2-methyl-1H-indole-5-carboxylate

C13H15NO2 — CID 133060413

IUPACpropan-2-yl 2-methyl-1H-indole-5-carboxylate
SMILESCc1cc2cc(C(=O)OC(C)C)ccc2[nH]1
InChIInChI=1S/C13H15NO2/c1-8(2)16-13(15)10-4-5-12-11(7-10)6-9(3)14-12/h4-8,14H,1-3H3
InChIKeyFYWBKNISUDIBPG-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.04
Rot. Bonds2

About propan-2-yl 2-methyl-1H-indole-5-carboxylate

propan-2-yl 2-methyl-1H-indole-5-carboxylate (PubChem CID 133060413) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is propan-2-yl 2-methyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-1H-indole-5-carboxylate
PubChem CID133060413
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namepropan-2-yl 2-methyl-1H-indole-5-carboxylate
SMILESCc1cc2cc(C(=O)OC(C)C)ccc2[nH]1
InChIInChI=1S/C13H15NO2/c1-8(2)16-13(15)10-4-5-12-11(7-10)6-9(3)14-12/h4-8,14H,1-3H3
InChIKeyFYWBKNISUDIBPG-UHFFFAOYSA-N
XLogP3.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yloxycarbonyl-1H-indole-2-carboxylic acid
CID 68855698
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
propan-2-yl 3-iodo-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 102537551
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
propan-2-yl 1H-indazole-6-carboxylate
CID 33056357
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
CID 141447996
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
CID 67356049
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-1H-indole-5-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-1H-indole-5-carboxylate (CID 133060413) is propan-2-yl 2-methyl-1H-indole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-1H-indole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-1H-indole-5-carboxylate is Cc1cc2cc(C(=O)OC(C)C)ccc2[nH]1.
What is the InChIKey of propan-2-yl 2-methyl-1H-indole-5-carboxylate?
The InChIKey is FYWBKNISUDIBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)16-13(15)10-4-5-12-11(7-10)6-9(3)14-12/h4-8,14H,1-3H3.
What are the key properties of propan-2-yl 2-methyl-1H-indole-5-carboxylate?
propan-2-yl 2-methyl-1H-indole-5-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-1H-indole-5-carboxylate is sourced from PubChem (CID 133060413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).