(2S,4S)-2-(azidomethyl)-4-methyloxolane

C6H11N3O — CID 125456412

IUPAC(2S,4S)-2-(azidomethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@H](CN=[N+]=[N-])C1
InChIInChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMHWXROIZFXYGKM-WDSKDSINSA-N
MW141.17 g/mol
LogP1.72
Rot. Bonds2

About (2S,4S)-2-(azidomethyl)-4-methyloxolane

(2S,4S)-2-(azidomethyl)-4-methyloxolane (PubChem CID 125456412) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S,4S)-2-(azidomethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2S,4S)-2-(azidomethyl)-4-methyloxolane
PubChem CID125456412
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2S,4S)-2-(azidomethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@H](CN=[N+]=[N-])C1
InChIInChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMHWXROIZFXYGKM-WDSKDSINSA-N
XLogP1.72
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 ≤ 51.72
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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Related Compounds

2-(Azidomethyl)tetrahydrofuran
CID 15267594
(2R,4S)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456422
(2R,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456425
(2S,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456426
(2S,4S)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456427
2-(Azidomethyl)-4-(trifluoromethyl)oxolane
CID 165438178
1-Azido-2-methoxy-4-methylpentane
CID 18003646
CID 54116978
CID 54116978
5-(Azidomethyl)-2,2-dimethyltetrahydrofuran
CID 86695687
(R)-5-(Azidomethyl)-2,2-dimethyltetrahydrofuran
CID 86695688
(2R)-2-(azidomethyl)oxolane
CID 124398127
(2S)-2-(azidomethyl)oxolane
CID 124398128

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(azidomethyl)-4-methyloxolane?
The IUPAC name of (2S,4S)-2-(azidomethyl)-4-methyloxolane (CID 125456412) is (2S,4S)-2-(azidomethyl)-4-methyloxolane.
What is the SMILES notation for (2S,4S)-2-(azidomethyl)-4-methyloxolane?
The canonical SMILES for (2S,4S)-2-(azidomethyl)-4-methyloxolane is C[C@@H]1CO[C@H](CN=[N+]=[N-])C1.
What is the InChIKey of (2S,4S)-2-(azidomethyl)-4-methyloxolane?
The InChIKey is MHWXROIZFXYGKM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-2-(azidomethyl)-4-methyloxolane?
(2S,4S)-2-(azidomethyl)-4-methyloxolane has a molecular weight of 141.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(azidomethyl)-4-methyloxolane is sourced from PubChem (CID 125456412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).