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

C10H17N3O2 — CID 87088657

IUPAC2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILES[H]/N=N/CC(=O)N1[C@@H](CC=C)COC1(C)C
InChIInChI=1S/C10H17N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8,11H,1,5-7H2,2-3H3/b12-11+/t8-/m0/s1
InChIKeyPIOYMNKWZJYDOK-BVKVCPRXSA-N
MW211.26 g/mol
LogP1.56
Rot. Bonds4

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

2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 87088657) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID87088657
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILES[H]/N=N/CC(=O)N1[C@@H](CC=C)COC1(C)C
InChIInChI=1S/C10H17N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8,11H,1,5-7H2,2-3H3/b12-11+/t8-/m0/s1
InChIKeyPIOYMNKWZJYDOK-BVKVCPRXSA-N
XLogP1.56
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (CID 87088657) is 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is [H]/N=N/CC(=O)N1[C@@H](CC=C)COC1(C)C.
What is the InChIKey of 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is PIOYMNKWZJYDOK-BVKVCPRXSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-8-7-15-10(2,3)13(8)9(14)6-12-11/h4,8,11H,1,5-7H2,2-3H3/b12-11+/t8-/m0/s1.
What are the key properties of 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 211.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 87088657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).