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

C11H12N2O3 — CID 40805084

IUPACmethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-8(12-11(15)16-2)5-7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyDFLPNHIKLUSTQR-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.38
Rot. Bonds1

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

methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate (PubChem CID 40805084) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
PubChem CID40805084
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-8(12-11(15)16-2)5-7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyDFLPNHIKLUSTQR-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
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
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
1-(2,4-dimethoxyphenyl)-3-(1-methyl-2-oxo-3H-indol-5-yl)urea
CID 30375715
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 99842043
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate (CID 40805084) is methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate is COC(=O)Nc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
The InChIKey is DFLPNHIKLUSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-9-4-3-8(12-11(15)16-2)5-7(9)6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate?
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate has a molecular weight of 220.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate is sourced from PubChem (CID 40805084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).