2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium

C10H16N3O2+ — CID 87085986

IUPAC2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[N+]#N
InChIInChI=1S/C10H16N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8H,1,5-7H2,2-3H3/q+1/t8-/m0/s1
InChIKeyFLQXZHCGTNLWQJ-QMMMGPOBSA-N
MW210.26 g/mol
LogP1.38
Rot. Bonds3

About 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium

2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium (PubChem CID 87085986) has the molecular formula C10H16N3O2+ and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium
PubChem CID87085986
Molecular FormulaC10H16N3O2+
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[N+]#N
InChIInChI=1S/C10H16N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8H,1,5-7H2,2-3H3/q+1/t8-/m0/s1
InChIKeyFLQXZHCGTNLWQJ-QMMMGPOBSA-N
XLogP1.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium?
The IUPAC name of 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium (CID 87085986) is 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium is C=CC[C@H]1COC(C)(C)N1C(=O)C[N+]#N.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium?
The InChIKey is FLQXZHCGTNLWQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8H,1,5-7H2,2-3H3/q+1/t8-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium?
2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium has a molecular weight of 210.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethanediazonium is sourced from PubChem (CID 87085986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).