6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one

C12H16N4O3 — CID 115303793

IUPAC6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC(C)(N)CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H16N4O3/c1-12(2,13)6-14-9-5-8-7(4-11(17)15-8)3-10(9)16(18)19/h3,5,14H,4,6,13H2,1-2H3,(H,15,17)
InChIKeyQUMHBPPCZWETFW-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.24
Rot. Bonds4

About 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one

6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 115303793) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID115303793
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC(C)(N)CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H16N4O3/c1-12(2,13)6-14-9-5-8-7(4-11(17)15-8)3-10(9)16(18)19/h3,5,14H,4,6,13H2,1-2H3,(H,15,17)
InChIKeyQUMHBPPCZWETFW-UHFFFAOYSA-N
XLogP1.24
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
CID 83204859
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
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451844
6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
CID 106306976
6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one (CID 115303793) is 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one is CC(C)(N)CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is QUMHBPPCZWETFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,13)6-14-9-5-8-7(4-11(17)15-8)3-10(9)16(18)19/h3,5,14H,4,6,13H2,1-2H3,(H,15,17).
What are the key properties of 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one?
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 115303793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).