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

C11H14N2O2 — CID 115229299

IUPAC5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCO)ccc2N1
InChIInChI=1S/C11H14N2O2/c14-7-12-4-3-8-1-2-10-9(5-8)6-11(15)13-10/h1-2,5,12,14H,3-4,6-7H2,(H,13,15)
InChIKeyTWCLBBAPDJWATN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.26
Rot. Bonds4

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

5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 115229299) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID115229299
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCO)ccc2N1
InChIInChI=1S/C11H14N2O2/c14-7-12-4-3-8-1-2-10-9(5-8)6-11(15)13-10/h1-2,5,12,14H,3-4,6-7H2,(H,13,15)
InChIKeyTWCLBBAPDJWATN-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
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

3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one (CID 115229299) is 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCNCO)ccc2N1.
What is the InChIKey of 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is TWCLBBAPDJWATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-7-12-4-3-8-1-2-10-9(5-8)6-11(15)13-10/h1-2,5,12,14H,3-4,6-7H2,(H,13,15).
What are the key properties of 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one?
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115229299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).