6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one

C13H17N3O5 — CID 106306976

IUPAC6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(NCCCOCCO)cc2N1
InChIInChI=1S/C13H17N3O5/c17-3-5-21-4-1-2-14-11-8-10-9(7-13(18)15-10)6-12(11)16(19)20/h6,8,14,17H,1-5,7H2,(H,15,18)
InChIKeyYCXQAGOJNAYGNF-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.90
Rot. Bonds8

About 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one

6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 106306976) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID106306976
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(NCCCOCCO)cc2N1
InChIInChI=1S/C13H17N3O5/c17-3-5-21-4-1-2-14-11-8-10-9(7-13(18)15-10)6-12(11)16(19)20/h6,8,14,17H,1-5,7H2,(H,15,18)
InChIKeyYCXQAGOJNAYGNF-UHFFFAOYSA-N
XLogP0.90
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.90
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

2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
CID 83204859
N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
CID 43552851
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-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43382886
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 63831578
6-(3-hydroxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one
CID 43479255
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
6-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-nitro-1,3-dihydroindol-2-one
CID 107866131
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one (CID 106306976) is 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])c(NCCCOCCO)cc2N1.
What is the InChIKey of 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is YCXQAGOJNAYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-3-5-21-4-1-2-14-11-8-10-9(7-13(18)15-10)6-12(11)16(19)20/h6,8,14,17H,1-5,7H2,(H,15,18).
What are the key properties of 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one?
6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 295.30 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106306976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).