hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium

C15H22NO3+ — CID 102009874

IUPAChydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium
SMILESCc1cc2c(c(C)c1CCO[N+](=O)O)CC(C)(C)C2
InChIInChI=1S/C15H22NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3,(H,17,18)/q+1
InChIKeyNWOQFPSULDNJIU-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.07
Rot. Bonds4

About hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium

hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium (PubChem CID 102009874) has the molecular formula C15H22NO3+ and a molecular weight of 264.34 g/mol. Its IUPAC name is hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium
PubChem CID102009874
Molecular FormulaC15H22NO3+
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Namehydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium
SMILESCc1cc2c(c(C)c1CCO[N+](=O)O)CC(C)(C)C2
InChIInChI=1S/C15H22NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3,(H,17,18)/q+1
InChIKeyNWOQFPSULDNJIU-UHFFFAOYSA-N
XLogP3.07
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dimethyl-2,3-dihydro-1H-inden-2-yl)methanol
CID 11367306
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
Alcyopterosins O
CID 10847307
2-(2,2,4,6-Tetramethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-ol
CID 13857689
Alcyopterosin G
CID 10492931
Alcyopterosin H
CID 10516792
Alcyopterosin B
CID 10754035
Russujaponol F
CID 101416477
Russujaponol E
CID 16086517
Hydroxy-[2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethoxy]-oxoazanium
CID 102009878
hydroxy-[(2S)-2-hydroxy-2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]-oxoazanium
CID 102009877
hydroxy-[2-[(1R)-1-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl]ethoxy]-oxoazanium
CID 102009879

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium?
The IUPAC name of hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium (CID 102009874) is hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium.
What is the SMILES notation for hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium?
The canonical SMILES for hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium is Cc1cc2c(c(C)c1CCO[N+](=O)O)CC(C)(C)C2.
What is the InChIKey of hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium?
The InChIKey is NWOQFPSULDNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3,(H,17,18)/q+1.
What are the key properties of hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium?
hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium has a molecular weight of 264.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethoxy]azanium is sourced from PubChem (CID 102009874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).