(1,2-dimethylindol-7-yl) N-ethylcarbamate

C13H16N2O2 — CID 143750172

IUPAC(1,2-dimethylindol-7-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc2cc(C)n(C)c12
InChIInChI=1S/C13H16N2O2/c1-4-14-13(16)17-11-7-5-6-10-8-9(2)15(3)12(10)11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyGTDSJUDULVHKNT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.60
Rot. Bonds2

About (1,2-dimethylindol-7-yl) N-ethylcarbamate

(1,2-dimethylindol-7-yl) N-ethylcarbamate (PubChem CID 143750172) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1,2-dimethylindol-7-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1,2-dimethylindol-7-yl) N-ethylcarbamate
PubChem CID143750172
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(1,2-dimethylindol-7-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc2cc(C)n(C)c12
InChIInChI=1S/C13H16N2O2/c1-4-14-13(16)17-11-7-5-6-10-8-9(2)15(3)12(10)11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyGTDSJUDULVHKNT-UHFFFAOYSA-N
XLogP2.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-7-yl) N-ethylcarbamate?
The IUPAC name of (1,2-dimethylindol-7-yl) N-ethylcarbamate (CID 143750172) is (1,2-dimethylindol-7-yl) N-ethylcarbamate.
What is the SMILES notation for (1,2-dimethylindol-7-yl) N-ethylcarbamate?
The canonical SMILES for (1,2-dimethylindol-7-yl) N-ethylcarbamate is CCNC(=O)Oc1cccc2cc(C)n(C)c12.
What is the InChIKey of (1,2-dimethylindol-7-yl) N-ethylcarbamate?
The InChIKey is GTDSJUDULVHKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-14-13(16)17-11-7-5-6-10-8-9(2)15(3)12(10)11/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of (1,2-dimethylindol-7-yl) N-ethylcarbamate?
(1,2-dimethylindol-7-yl) N-ethylcarbamate has a molecular weight of 232.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-7-yl) N-ethylcarbamate is sourced from PubChem (CID 143750172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).