(3R)-3-azido-3-methyloxolan-2-one

C5H7N3O2 — CID 23562298

IUPAC(3R)-3-azido-3-methyloxolan-2-one
SMILESC[C@@]1(N=[N+]=[N-])CCOC1=O
InChIInChI=1S/C5H7N3O2/c1-5(7-8-6)2-3-10-4(5)9/h2-3H2,1H3/t5-/m1/s1
InChIKeyAUGQCQHACRECDX-RXMQYKEDSA-N
MW141.13 g/mol
LogP1.00
Rot. Bonds1

About (3R)-3-azido-3-methyloxolan-2-one

(3R)-3-azido-3-methyloxolan-2-one (PubChem CID 23562298) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (3R)-3-azido-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-azido-3-methyloxolan-2-one
PubChem CID23562298
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(3R)-3-azido-3-methyloxolan-2-one
SMILESC[C@@]1(N=[N+]=[N-])CCOC1=O
InChIInChI=1S/C5H7N3O2/c1-5(7-8-6)2-3-10-4(5)9/h2-3H2,1H3/t5-/m1/s1
InChIKeyAUGQCQHACRECDX-RXMQYKEDSA-N
XLogP1.00
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze (3R)-3-azido-3-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
CID 95003018
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
CID 129405766
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
1-azido-1-methylcyclobutane
CID 126726881
(3R)-3-hydroxy-3-methyloxan-2-one
CID 122221331
1-azido-1-methylcycloundecane
CID 121345387
3-azido-3-[2-phenyl-1-(4-phenyltriazol-2-yl)ethyl]oxolan-2-one
CID 10090798
N-(3-methyl-2-oxooxolan-3-yl)acetamide
CID 551291
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
3-methyl-3-phenyloxolan-2-one
CID 15937425

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azido-3-methyloxolan-2-one?
The IUPAC name of (3R)-3-azido-3-methyloxolan-2-one (CID 23562298) is (3R)-3-azido-3-methyloxolan-2-one.
What is the SMILES notation for (3R)-3-azido-3-methyloxolan-2-one?
The canonical SMILES for (3R)-3-azido-3-methyloxolan-2-one is C[C@@]1(N=[N+]=[N-])CCOC1=O.
What is the InChIKey of (3R)-3-azido-3-methyloxolan-2-one?
The InChIKey is AUGQCQHACRECDX-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-5(7-8-6)2-3-10-4(5)9/h2-3H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-azido-3-methyloxolan-2-one?
(3R)-3-azido-3-methyloxolan-2-one has a molecular weight of 141.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azido-3-methyloxolan-2-one is sourced from PubChem (CID 23562298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).