1-[(2-hydroxyethylamino)methyl]indole-2,3-dione

C11H12N2O3 — CID 22013357

IUPAC1-[(2-hydroxyethylamino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNCCO)c2ccccc21
InChIInChI=1S/C11H12N2O3/c14-6-5-12-7-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,12,14H,5-7H2
InChIKeyYALLGYKDDBKMRE-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.24
Rot. Bonds4

About 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione

1-[(2-hydroxyethylamino)methyl]indole-2,3-dione (PubChem CID 22013357) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(2-hydroxyethylamino)methyl]indole-2,3-dione
PubChem CID22013357
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[(2-hydroxyethylamino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNCCO)c2ccccc21
InChIInChI=1S/C11H12N2O3/c14-6-5-12-7-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,12,14H,5-7H2
InChIKeyYALLGYKDDBKMRE-UHFFFAOYSA-N
XLogP-0.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione (CID 22013357) is 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione is O=C1C(=O)N(CNCCO)c2ccccc21.
What is the InChIKey of 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione?
The InChIKey is YALLGYKDDBKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-6-5-12-7-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,12,14H,5-7H2.
What are the key properties of 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione?
1-[(2-hydroxyethylamino)methyl]indole-2,3-dione has a molecular weight of 220.23 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyethylamino)methyl]indole-2,3-dione is sourced from PubChem (CID 22013357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).