[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium

C13H19N4O2+ — CID 135453993

IUPAC[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)NN=C1c2ccccc2NC1O
InChIInChI=1S/C13H18N4O2/c1-17(2,3)8-11(18)15-16-12-9-6-4-5-7-10(9)14-13(12)19/h4-7,13,19H,8H2,1-3H3,(H-,14,15,16,18)/p+1
InChIKeyNIABHNHQHVUTPV-UHFFFAOYSA-O
MW263.32 g/mol
LogP-0.04
Rot. Bonds3

About [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium

[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium (PubChem CID 135453993) has the molecular formula C13H19N4O2+ and a molecular weight of 263.32 g/mol. Its IUPAC name is [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium
PubChem CID135453993
Molecular FormulaC13H19N4O2+
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)NN=C1c2ccccc2NC1O
InChIInChI=1S/C13H18N4O2/c1-17(2,3)8-11(18)15-16-12-9-6-4-5-7-10(9)14-13(12)19/h4-7,13,19H,8H2,1-3H3,(H-,14,15,16,18)/p+1
InChIKeyNIABHNHQHVUTPV-UHFFFAOYSA-O
XLogP-0.04
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium (CID 135453993) is [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)NN=C1c2ccccc2NC1O.
What is the InChIKey of [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is NIABHNHQHVUTPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N4O2/c1-17(2,3)8-11(18)15-16-12-9-6-4-5-7-10(9)14-13(12)19/h4-7,13,19H,8H2,1-3H3,(H-,14,15,16,18)/p+1.
What are the key properties of [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium?
[2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 263.32 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-hydroxy-1,2-dihydroindol-3-ylidene)hydrazinyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 135453993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).