5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one

C12H16N2O2 — CID 115258520

IUPAC5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCOCNCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-14-11-4-3-9(7-13-8-16-2)5-10(11)6-12(14)15/h3-5,13H,6-8H2,1-2H3
InChIKeyKICHHIGCKPIUIX-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.90
Rot. Bonds4

About 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one

5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one (PubChem CID 115258520) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
PubChem CID115258520
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCOCNCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-14-11-4-3-9(7-13-8-16-2)5-10(11)6-12(14)15/h3-5,13H,6-8H2,1-2H3
InChIKeyKICHHIGCKPIUIX-UHFFFAOYSA-N
XLogP0.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115196517
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100
5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
1-methyl-5-[2-methyl-2-(methylamino)propyl]-3H-indol-2-one
CID 82289780

Frequently Asked Questions

What is the IUPAC name of 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one (CID 115258520) is 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one is COCNCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is KICHHIGCKPIUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-11-4-3-9(7-13-8-16-2)5-10(11)6-12(14)15/h3-5,13H,6-8H2,1-2H3.
What are the key properties of 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one?
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115258520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).