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

C8H13N3O — CID 125457049

IUPAC(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@@H](C2CC2)CO1
InChIInChI=1S/C8H13N3O/c9-11-10-4-8-3-7(5-12-8)6-1-2-6/h6-8H,1-5H2/t7-,8-/m1/s1
InChIKeyVBRSNKWEWSDIJY-HTQZYQBOSA-N
MW167.21 g/mol
LogP2.11
Rot. Bonds3

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

(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane (PubChem CID 125457049) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane.

Molecular Properties

Compound Name(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane
PubChem CID125457049
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@@H](C2CC2)CO1
InChIInChI=1S/C8H13N3O/c9-11-10-4-8-3-7(5-12-8)6-1-2-6/h6-8H,1-5H2/t7-,8-/m1/s1
InChIKeyVBRSNKWEWSDIJY-HTQZYQBOSA-N
XLogP2.11
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.11
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 (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane?
The IUPAC name of (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane (CID 125457049) is (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane.
What is the SMILES notation for (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane?
The canonical SMILES for (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane is [N-]=[N+]=NC[C@H]1C[C@@H](C2CC2)CO1.
What is the InChIKey of (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane?
The InChIKey is VBRSNKWEWSDIJY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N3O/c9-11-10-4-8-3-7(5-12-8)6-1-2-6/h6-8H,1-5H2/t7-,8-/m1/s1.
What are the key properties of (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane?
(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane has a molecular weight of 167.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane is sourced from PubChem (CID 125457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).