methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate

C14H17NO2 — CID 54101647

IUPACmethyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(C(C)C)ccc(C)c2[nH]1
InChIInChI=1S/C14H17NO2/c1-8(2)10-6-5-9(3)13-11(10)7-12(15-13)14(16)17-4/h5-8,15H,1-4H3
InChIKeyNAWZBBLWHUBQFE-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.39
Rot. Bonds2

About methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate

methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate (PubChem CID 54101647) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
PubChem CID54101647
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(C(C)C)ccc(C)c2[nH]1
InChIInChI=1S/C14H17NO2/c1-8(2)10-6-5-9(3)13-11(10)7-12(15-13)14(16)17-4/h5-8,15H,1-4H3
InChIKeyNAWZBBLWHUBQFE-UHFFFAOYSA-N
XLogP3.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate (CID 54101647) is methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate is COC(=O)c1cc2c(C(C)C)ccc(C)c2[nH]1.
What is the InChIKey of methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate?
The InChIKey is NAWZBBLWHUBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8(2)10-6-5-9(3)13-11(10)7-12(15-13)14(16)17-4/h5-8,15H,1-4H3.
What are the key properties of methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate?
methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate is sourced from PubChem (CID 54101647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).