(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane

C10H17N3O — CID 125455586

IUPAC(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane
SMILES[N-]=[N+]=NC[C@@H]1C[C@H](C2CCCC2)CO1
InChIInChI=1S/C10H17N3O/c11-13-12-6-10-5-9(7-14-10)8-3-1-2-4-8/h8-10H,1-7H2/t9-,10-/m0/s1
InChIKeyDZFQNMLXBZMBRE-UWVGGRQHSA-N
MW195.27 g/mol
LogP2.89
Rot. Bonds3

About (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane

(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane (PubChem CID 125455586) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane
PubChem CID125455586
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane
SMILES[N-]=[N+]=NC[C@@H]1C[C@H](C2CCCC2)CO1
InChIInChI=1S/C10H17N3O/c11-13-12-6-10-5-9(7-14-10)8-3-1-2-4-8/h8-10H,1-7H2/t9-,10-/m0/s1
InChIKeyDZFQNMLXBZMBRE-UWVGGRQHSA-N
XLogP2.89
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.89
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 (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane?
The IUPAC name of (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane (CID 125455586) is (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane.
What is the SMILES notation for (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane?
The canonical SMILES for (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane is [N-]=[N+]=NC[C@@H]1C[C@H](C2CCCC2)CO1.
What is the InChIKey of (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane?
The InChIKey is DZFQNMLXBZMBRE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17N3O/c11-13-12-6-10-5-9(7-14-10)8-3-1-2-4-8/h8-10H,1-7H2/t9-,10-/m0/s1.
What are the key properties of (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane?
(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane has a molecular weight of 195.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane is sourced from PubChem (CID 125455586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).