5-amino-1-[(dimethylamino)methyl]indole-2,3-dione

C11H13N3O2 — CID 125478045

IUPAC5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
SMILESCN(C)CN1C(=O)C(=O)c2cc(N)ccc21
InChIInChI=1S/C11H13N3O2/c1-13(2)6-14-9-4-3-7(12)5-8(9)10(15)11(14)16/h3-5H,6,12H2,1-2H3
InChIKeyNMFHBLKXCXDFEK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione

5-amino-1-[(dimethylamino)methyl]indole-2,3-dione (PubChem CID 125478045) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
PubChem CID125478045
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
SMILESCN(C)CN1C(=O)C(=O)c2cc(N)ccc21
InChIInChI=1S/C11H13N3O2/c1-13(2)6-14-9-4-3-7(12)5-8(9)10(15)11(14)16/h3-5H,6,12H2,1-2H3
InChIKeyNMFHBLKXCXDFEK-UHFFFAOYSA-N
XLogP0.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
CID 21307299
5-amino-1-benzylindole-2,3-dione
CID 53306407
methyl 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]benzoate
CID 155669339
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881
5-amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]isoindole-1,3-dione
CID 28773057
7-amino-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzothiazin-3-one
CID 84615507
1-(3-aminopropyl)-5-methylindole-2,3-dione
CID 84622797
1-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9172212
1-[2-(3,5-dimethylphenoxy)ethyl]-5-methylindole-2,3-dione
CID 18802407
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9234389
5-amino-2-(2-propan-2-ylsulfonylethyl)isoindole-1,3-dione
CID 106724648

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione?
The IUPAC name of 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione (CID 125478045) is 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione.
What is the SMILES notation for 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione?
The canonical SMILES for 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione is CN(C)CN1C(=O)C(=O)c2cc(N)ccc21.
What is the InChIKey of 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione?
The InChIKey is NMFHBLKXCXDFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13(2)6-14-9-4-3-7(12)5-8(9)10(15)11(14)16/h3-5H,6,12H2,1-2H3.
What are the key properties of 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione?
5-amino-1-[(dimethylamino)methyl]indole-2,3-dione has a molecular weight of 219.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(dimethylamino)methyl]indole-2,3-dione is sourced from PubChem (CID 125478045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).