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

C12H16N4O3 — CID 115319432

IUPAC6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCN(CCCN)c1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H16N4O3/c1-15(4-2-3-13)10-7-9-8(6-12(17)14-9)5-11(10)16(18)19/h5,7H,2-4,6,13H2,1H3,(H,14,17)
InChIKeySPZDUJYXHZYXFQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.87
Rot. Bonds5

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

6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 115319432) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID115319432
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCN(CCCN)c1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C12H16N4O3/c1-15(4-2-3-13)10-7-9-8(6-12(17)14-9)5-11(10)16(18)19/h5,7H,2-4,6,13H2,1H3,(H,14,17)
InChIKeySPZDUJYXHZYXFQ-UHFFFAOYSA-N
XLogP0.87
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
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

3-[methyl-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propanoic acid
CID 122059567
6-[2-aminoethyl(methyl)amino]-7-nitro-4H-1,4-benzoxazin-3-one
CID 62687384
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
5-chloro-6-nitro-1,3-dihydroindol-2-one
CID 141362608
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
5-nitro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 154202750
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
CID 43552851

Frequently Asked Questions

What is the IUPAC name of 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one (CID 115319432) is 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one is CN(CCCN)c1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is SPZDUJYXHZYXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15(4-2-3-13)10-7-9-8(6-12(17)14-9)5-11(10)16(18)19/h5,7H,2-4,6,13H2,1H3,(H,14,17).
What are the key properties of 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one?
6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-aminopropyl(methyl)amino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 115319432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).