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

C12H14N2O3 — CID 40805083

IUPACethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)13-9-4-5-10-8(6-9)7-11(15)14(10)2/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyNOGUFIZOXFGWIN-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.77
Rot. Bonds2

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

ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate (PubChem CID 40805083) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
PubChem CID40805083
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)13-9-4-5-10-8(6-9)7-11(15)14(10)2/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyNOGUFIZOXFGWIN-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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Related Compounds

methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The IUPAC name of ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate (CID 40805083) is ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The canonical SMILES for ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate is CCOC(=O)Nc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The InChIKey is NOGUFIZOXFGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)13-9-4-5-10-8(6-9)7-11(15)14(10)2/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
ethyl N-(1-methyl-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 ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate is sourced from PubChem (CID 40805083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).