3-azido-4-hydroxy-5-methyloxolan-2-one

C5H7N3O3 — CID 14607602

IUPAC3-azido-4-hydroxy-5-methyloxolan-2-one
SMILESCC1OC(=O)C(N=[N+]=[N-])C1O
InChIInChI=1S/C5H7N3O3/c1-2-4(9)3(7-8-6)5(10)11-2/h2-4,9H,1H3
InChIKeyRDZCCBTVVMLZCW-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.03
Rot. Bonds1

About 3-azido-4-hydroxy-5-methyloxolan-2-one

3-azido-4-hydroxy-5-methyloxolan-2-one (PubChem CID 14607602) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-azido-4-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-azido-4-hydroxy-5-methyloxolan-2-one
PubChem CID14607602
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name3-azido-4-hydroxy-5-methyloxolan-2-one
SMILESCC1OC(=O)C(N=[N+]=[N-])C1O
InChIInChI=1S/C5H7N3O3/c1-2-4(9)3(7-8-6)5(10)11-2/h2-4,9H,1H3
InChIKeyRDZCCBTVVMLZCW-UHFFFAOYSA-N
XLogP-0.03
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-azido-4-hydroxy-5-methyloxolan-2-one?
The IUPAC name of 3-azido-4-hydroxy-5-methyloxolan-2-one (CID 14607602) is 3-azido-4-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for 3-azido-4-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for 3-azido-4-hydroxy-5-methyloxolan-2-one is CC1OC(=O)C(N=[N+]=[N-])C1O.
What is the InChIKey of 3-azido-4-hydroxy-5-methyloxolan-2-one?
The InChIKey is RDZCCBTVVMLZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-2-4(9)3(7-8-6)5(10)11-2/h2-4,9H,1H3.
What are the key properties of 3-azido-4-hydroxy-5-methyloxolan-2-one?
3-azido-4-hydroxy-5-methyloxolan-2-one has a molecular weight of 157.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 14607602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).