[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium

C10H17N2O2+ — CID 10058539

IUPAC[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium
SMILESCC1(C)N=C(/C=C/[N+](C)(C)C)OC1=O
InChIInChI=1S/C10H17N2O2/c1-10(2)9(13)14-8(11-10)6-7-12(3,4)5/h6-7H,1-5H3/q+1/b7-6+
InChIKeyGHOBSYGIGORXKR-VOTSOKGWSA-N
MW197.26 g/mol
LogP0.94
Rot. Bonds2

About [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium

[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium (PubChem CID 10058539) has the molecular formula C10H17N2O2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium.

Molecular Properties

Compound Name[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium
PubChem CID10058539
Molecular FormulaC10H17N2O2+
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium
SMILESCC1(C)N=C(/C=C/[N+](C)(C)C)OC1=O
InChIInChI=1S/C10H17N2O2/c1-10(2)9(13)14-8(11-10)6-7-12(3,4)5/h6-7H,1-5H3/q+1/b7-6+
InChIKeyGHOBSYGIGORXKR-VOTSOKGWSA-N
XLogP0.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
CID 22016104
2-[8-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)octyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881979
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one;2-methylidenehexanoate
CID 20505705
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methylsulfanylmethanethioic S-acid
CID 141100060
3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)benzoic acid
CID 12887256
4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one
CID 57435374
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl 2-bromo-2-methylpropanoate
CID 20782780
2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 146264352
2-[[(R)-diethylamino(sulfanyl)methyl]sulfanylmethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 142955339
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
CID 20732710
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium?
The IUPAC name of [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium (CID 10058539) is [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium.
What is the SMILES notation for [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium?
The canonical SMILES for [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium is CC1(C)N=C(/C=C/[N+](C)(C)C)OC1=O.
What is the InChIKey of [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium?
The InChIKey is GHOBSYGIGORXKR-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17N2O2/c1-10(2)9(13)14-8(11-10)6-7-12(3,4)5/h6-7H,1-5H3/q+1/b7-6+.
What are the key properties of [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium?
[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium has a molecular weight of 197.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium is sourced from PubChem (CID 10058539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).