5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one

C13H18N2O2 — CID 115229633

IUPAC5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CNCO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-13(2,7-14-8-16)10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyNTSWHENYWBTMJP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.00
Rot. Bonds4

About 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one

5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one (PubChem CID 115229633) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
PubChem CID115229633
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CNCO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-13(2,7-14-8-16)10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyNTSWHENYWBTMJP-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383

Frequently Asked Questions

What is the IUPAC name of 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one (CID 115229633) is 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one is CC(C)(CNCO)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is NTSWHENYWBTMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,7-14-8-16)10-3-4-11-9(5-10)6-12(17)15-11/h3-5,14,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one?
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115229633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).