2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate

C11H12N4O5 — CID 83204859

IUPAC2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C11H12N4O5/c12-11(17)20-2-1-13-8-5-7-6(4-10(16)14-7)3-9(8)15(18)19/h3,5,13H,1-2,4H2,(H2,12,17)(H,14,16)
InChIKeyGPIXFSJLKHUDOD-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.60
Rot. Bonds5

About 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate

2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate (PubChem CID 83204859) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
PubChem CID83204859
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C11H12N4O5/c12-11(17)20-2-1-13-8-5-7-6(4-10(16)14-7)3-9(8)15(18)19/h3,5,13H,1-2,4H2,(H2,12,17)(H,14,16)
InChIKeyGPIXFSJLKHUDOD-UHFFFAOYSA-N
XLogP0.60
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
CID 43552851
6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
CID 106306976
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
CID 104594187
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 63831578
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
6-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-nitro-1,3-dihydroindol-2-one
CID 107866131
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339
4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 43449751
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate (CID 83204859) is 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate is NC(=O)OCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate?
The InChIKey is GPIXFSJLKHUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c12-11(17)20-2-1-13-8-5-7-6(4-10(16)14-7)3-9(8)15(18)19/h3,5,13H,1-2,4H2,(H2,12,17)(H,14,16).
What are the key properties of 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate?
2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate has a molecular weight of 280.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate is sourced from PubChem (CID 83204859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).