methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate

C20H19NO2 — CID 155934654

IUPACmethyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(-c1ccccc1)c(C1CC1)n2C
InChIInChI=1S/C20H19NO2/c1-21-17-11-10-15(20(22)23-2)12-16(17)18(19(21)14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyCURUBFGDJKOMCD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.51
Rot. Bonds3

About methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate

methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate (PubChem CID 155934654) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate
PubChem CID155934654
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(-c1ccccc1)c(C1CC1)n2C
InChIInChI=1S/C20H19NO2/c1-21-17-11-10-15(20(22)23-2)12-16(17)18(19(21)14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyCURUBFGDJKOMCD-UHFFFAOYSA-N
XLogP4.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate (CID 155934654) is methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate is COC(=O)c1ccc2c(c1)c(-c1ccccc1)c(C1CC1)n2C.
What is the InChIKey of methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate?
The InChIKey is CURUBFGDJKOMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21-17-11-10-15(20(22)23-2)12-16(17)18(19(21)14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate?
methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-1-methyl-3-phenylindole-5-carboxylate is sourced from PubChem (CID 155934654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).