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

C6H11N3O — CID 141171025

IUPACtrans-(1S,2S)-1-azido-2-methoxycyclopentane
SMILESCO[C@H]1CCC[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-10-6-4-2-3-5(6)8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyFUOCCHJJTSZVBQ-WDSKDSINSA-N
MW141.17 g/mol
LogP1.86
Rot. Bonds2

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

trans-(1S,2S)-1-azido-2-methoxycyclopentane (PubChem CID 141171025) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is trans-(1S,2S)-1-azido-2-methoxycyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-azido-2-methoxycyclopentane
PubChem CID141171025
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Nametrans-(1S,2S)-1-azido-2-methoxycyclopentane
SMILESCO[C@H]1CCC[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-10-6-4-2-3-5(6)8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyFUOCCHJJTSZVBQ-WDSKDSINSA-N
XLogP1.86
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.86
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-methoxycyclopentane?
The IUPAC name of trans-(1S,2S)-1-azido-2-methoxycyclopentane (CID 141171025) is trans-(1S,2S)-1-azido-2-methoxycyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-azido-2-methoxycyclopentane?
The canonical SMILES for trans-(1S,2S)-1-azido-2-methoxycyclopentane is CO[C@H]1CCC[C@@H]1N=[N+]=[N-].
What is the InChIKey of trans-(1S,2S)-1-azido-2-methoxycyclopentane?
The InChIKey is FUOCCHJJTSZVBQ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11N3O/c1-10-6-4-2-3-5(6)8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-1-azido-2-methoxycyclopentane?
trans-(1S,2S)-1-azido-2-methoxycyclopentane has a molecular weight of 141.17 g/mol, XLogP of 1.86, 2 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-methoxycyclopentane is sourced from PubChem (CID 141171025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).