methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate

C12H14N2O3 — CID 40805072

IUPACmethyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCCN1C(=O)Cc2cc(NC(=O)OC)ccc21
InChIInChI=1S/C12H14N2O3/c1-3-14-10-5-4-9(13-12(16)17-2)6-8(10)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyGTJHKJWDXIFVGU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.77
Rot. Bonds2

About methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate

methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate (PubChem CID 40805072) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate
PubChem CID40805072
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCCN1C(=O)Cc2cc(NC(=O)OC)ccc21
InChIInChI=1S/C12H14N2O3/c1-3-14-10-5-4-9(13-12(16)17-2)6-8(10)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyGTJHKJWDXIFVGU-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate?
The IUPAC name of methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate (CID 40805072) is methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate.
What is the SMILES notation for methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate?
The canonical SMILES for methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate is CCN1C(=O)Cc2cc(NC(=O)OC)ccc21.
What is the InChIKey of methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate?
The InChIKey is GTJHKJWDXIFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-14-10-5-4-9(13-12(16)17-2)6-8(10)7-11(14)15/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate?
methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate has a molecular weight of 234.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-ethyl-2-oxo-3H-indol-5-yl)carbamate is sourced from PubChem (CID 40805072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).