methyl 1-methyl-6-propan-2-ylindole-2-carboxylate

C14H17NO2 — CID 169494744

IUPACmethyl 1-methyl-6-propan-2-ylindole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(C(C)C)cc2n1C
InChIInChI=1S/C14H17NO2/c1-9(2)10-5-6-11-8-13(14(16)17-4)15(3)12(11)7-10/h5-9H,1-4H3
InChIKeyHCPNFRIFADMZRT-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.09
Rot. Bonds2

About methyl 1-methyl-6-propan-2-ylindole-2-carboxylate

methyl 1-methyl-6-propan-2-ylindole-2-carboxylate (PubChem CID 169494744) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 1-methyl-6-propan-2-ylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-propan-2-ylindole-2-carboxylate
PubChem CID169494744
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl 1-methyl-6-propan-2-ylindole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(C(C)C)cc2n1C
InChIInChI=1S/C14H17NO2/c1-9(2)10-5-6-11-8-13(14(16)17-4)15(3)12(11)7-10/h5-9H,1-4H3
InChIKeyHCPNFRIFADMZRT-UHFFFAOYSA-N
XLogP3.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-propan-2-ylindole-2-carboxylate?
The IUPAC name of methyl 1-methyl-6-propan-2-ylindole-2-carboxylate (CID 169494744) is methyl 1-methyl-6-propan-2-ylindole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-propan-2-ylindole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-6-propan-2-ylindole-2-carboxylate is COC(=O)c1cc2ccc(C(C)C)cc2n1C.
What is the InChIKey of methyl 1-methyl-6-propan-2-ylindole-2-carboxylate?
The InChIKey is HCPNFRIFADMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)10-5-6-11-8-13(14(16)17-4)15(3)12(11)7-10/h5-9H,1-4H3.
What are the key properties of methyl 1-methyl-6-propan-2-ylindole-2-carboxylate?
methyl 1-methyl-6-propan-2-ylindole-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-propan-2-ylindole-2-carboxylate is sourced from PubChem (CID 169494744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).