methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate

C10H10N2O3 — CID 40805098

IUPACmethyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)11-7-2-3-8-6(4-7)5-9(13)12-8/h2-4H,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyOHQBEJBLQOACHX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.36
Rot. Bonds1

About methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate

methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate (PubChem CID 40805098) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate
PubChem CID40805098
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)11-7-2-3-8-6(4-7)5-9(13)12-8/h2-4H,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyOHQBEJBLQOACHX-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039
3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one
CID 725903
3-Ethylideneindolin-2-one
CID 12331358
6-fluoro-2,3-dihydro-1H-indol-2-one
CID 3731013
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
3,3-diethyl-2,3-dihydro-1H-indol-2-one
CID 15153221

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate?
The IUPAC name of methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate (CID 40805098) is methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate.
What is the SMILES notation for methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate?
The canonical SMILES for methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate is COC(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate?
The InChIKey is OHQBEJBLQOACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-10(14)11-7-2-3-8-6(4-7)5-9(13)12-8/h2-4H,5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate?
methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate has a molecular weight of 206.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-oxo-1,3-dihydroindol-5-yl)carbamate is sourced from PubChem (CID 40805098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).