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

C10H15N3O2 — CID 86643146

IUPAC2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C=[N+]=[N-]
InChIInChI=1S/C10H15N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,6,8H,1,5,7H2,2-3H3/t8-/m0/s1
InChIKeyGIKPXBKLYWDCDE-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.83
Rot. Bonds3

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

2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 86643146) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID86643146
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C=[N+]=[N-]
InChIInChI=1S/C10H15N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,6,8H,1,5,7H2,2-3H3/t8-/m0/s1
InChIKeyGIKPXBKLYWDCDE-QMMMGPOBSA-N
XLogP0.83
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (CID 86643146) is 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is C=CC[C@H]1COC(C)(C)N1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is GIKPXBKLYWDCDE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,6,8H,1,5,7H2,2-3H3/t8-/m0/s1.
What are the key properties of 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 209.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 86643146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).