trans-(1S,2S)-1-azido-2-ethoxycyclopentane

C7H13N3O — CID 130423156

IUPACtrans-(1S,2S)-1-azido-2-ethoxycyclopentane
SMILESCCO[C@H]1CCC[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O/c1-2-11-7-5-3-4-6(7)9-10-8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyIYGVZNBTEPJOMA-BQBZGAKWSA-N
MW155.20 g/mol
LogP2.25
Rot. Bonds3

About trans-(1S,2S)-1-azido-2-ethoxycyclopentane

trans-(1S,2S)-1-azido-2-ethoxycyclopentane (PubChem CID 130423156) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is trans-(1S,2S)-1-azido-2-ethoxycyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-azido-2-ethoxycyclopentane
PubChem CID130423156
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Nametrans-(1S,2S)-1-azido-2-ethoxycyclopentane
SMILESCCO[C@H]1CCC[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O/c1-2-11-7-5-3-4-6(7)9-10-8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyIYGVZNBTEPJOMA-BQBZGAKWSA-N
XLogP2.25
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-azido-2-ethoxycyclopentane?
The IUPAC name of trans-(1S,2S)-1-azido-2-ethoxycyclopentane (CID 130423156) is trans-(1S,2S)-1-azido-2-ethoxycyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-azido-2-ethoxycyclopentane?
The canonical SMILES for trans-(1S,2S)-1-azido-2-ethoxycyclopentane is CCO[C@H]1CCC[C@@H]1N=[N+]=[N-].
What is the InChIKey of trans-(1S,2S)-1-azido-2-ethoxycyclopentane?
The InChIKey is IYGVZNBTEPJOMA-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-11-7-5-3-4-6(7)9-10-8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-1-azido-2-ethoxycyclopentane?
trans-(1S,2S)-1-azido-2-ethoxycyclopentane has a molecular weight of 155.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-azido-2-ethoxycyclopentane is sourced from PubChem (CID 130423156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).