2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde

C12H14N2O2 — CID 115223207

IUPAC2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
SMILESO=CCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H14N2O2/c15-6-5-13-4-3-9-1-2-11-10(7-9)8-12(16)14-11/h1-2,6-7,13H,3-5,8H2,(H,14,16)
InChIKeyCXHPGFCDATZALD-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde

2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde (PubChem CID 115223207) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
PubChem CID115223207
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
SMILESO=CCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H14N2O2/c15-6-5-13-4-3-9-1-2-11-10(7-9)8-12(16)14-11/h1-2,6-7,13H,3-5,8H2,(H,14,16)
InChIKeyCXHPGFCDATZALD-UHFFFAOYSA-N
XLogP0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propane-1-sulfonamide
CID 110788490
5-butyl-1,3-dihydroindol-2-one
CID 10219749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde?
The IUPAC name of 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde (CID 115223207) is 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde is O=CCNCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde?
The InChIKey is CXHPGFCDATZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-6-5-13-4-3-9-1-2-11-10(7-9)8-12(16)14-11/h1-2,6-7,13H,3-5,8H2,(H,14,16).
What are the key properties of 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde?
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde has a molecular weight of 218.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde is sourced from PubChem (CID 115223207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).