2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium

C16H24NO2+ — CID 7379438

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESc1cc2c(cc1OCC[NH2+]C[C@@H]1CCCO1)CCC2
InChIInChI=1S/C16H23NO2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h6-7,11,16-17H,1-5,8-10,12H2/p+1/t16-/m0/s1
InChIKeyQZSXAMXIBRSSJT-INIZCTEOSA-O
MW262.37 g/mol
LogP1.30
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium

2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7379438) has the molecular formula C16H24NO2+ and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7379438
Molecular FormulaC16H24NO2+
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESc1cc2c(cc1OCC[NH2+]C[C@@H]1CCCO1)CCC2
InChIInChI=1S/C16H23NO2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h6-7,11,16-17H,1-5,8-10,12H2/p+1/t16-/m0/s1
InChIKeyQZSXAMXIBRSSJT-INIZCTEOSA-O
XLogP1.30
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7379438) is 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium is c1cc2c(cc1OCC[NH2+]C[C@@H]1CCCO1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is QZSXAMXIBRSSJT-INIZCTEOSA-O. The full InChI is InChI=1S/C16H23NO2/c1-3-13-6-7-15(11-14(13)4-1)19-10-8-17-12-16-5-2-9-18-16/h6-7,11,16-17H,1-5,8-10,12H2/p+1/t16-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium?
2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 262.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7379438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).