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

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Launch Full Analysis

Related Compounds

1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396003
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
CID 59396010
2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 59396011
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396030
tert-butyl-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamic acid
CID 66636692
[2-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]azanium
CID 72287424
2-Amino-1-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 72287425
1-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)propan-1-one
CID 72287438
(4S)-3-(diazoacetyl)-2,2-dimethyl-4-(2-propen-1-yl)-1,3-oxazolidine
CID 86643146
[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)carbamic acid
CID 87085909
2-diazenyl-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 87088657
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 173111081

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).