3-propan-2-yloxaziridine

C4H9NO — CID 175469364

IUPAC3-propan-2-yloxaziridine
SMILESCC(C)C1NO1
InChIInChI=1S/C4H9NO/c1-3(2)4-5-6-4/h3-5H,1-2H3
InChIKeyYYFXHVLAZUTDDY-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.50
Rot. Bonds1

About 3-propan-2-yloxaziridine

3-propan-2-yloxaziridine (PubChem CID 175469364) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-propan-2-yloxaziridine.

Molecular Properties

Compound Name3-propan-2-yloxaziridine
PubChem CID175469364
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-propan-2-yloxaziridine
SMILESCC(C)C1NO1
InChIInChI=1S/C4H9NO/c1-3(2)4-5-6-4/h3-5H,1-2H3
InChIKeyYYFXHVLAZUTDDY-UHFFFAOYSA-N
XLogP0.50
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4S)-2,4-di(propan-2-yl)-1,3-oxazolidine
CID 22951232
2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 45096105
2,4,5-tri(propan-2-yl)-1,3-oxazolidine
CID 166020016
3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine
CID 91576126
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 164705933
4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 176647402
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
(5R)-4,4-dimethyl-5-propan-2-yl-1,3,2-dioxazolidine
CID 163940703
6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
CID 153383942
(3R)-6-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-1,3-oxazolidine]-2'-one
CID 153383937
(2R,4S)-2-cyclohexyl-4-propan-2-yl-1,3-oxazolidine
CID 131847789
2-propan-2-ylmorpholin-4-ium
CID 19877687

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxaziridine?
The IUPAC name of 3-propan-2-yloxaziridine (CID 175469364) is 3-propan-2-yloxaziridine.
What is the SMILES notation for 3-propan-2-yloxaziridine?
The canonical SMILES for 3-propan-2-yloxaziridine is CC(C)C1NO1.
What is the InChIKey of 3-propan-2-yloxaziridine?
The InChIKey is YYFXHVLAZUTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(2)4-5-6-4/h3-5H,1-2H3.
What are the key properties of 3-propan-2-yloxaziridine?
3-propan-2-yloxaziridine has a molecular weight of 87.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxaziridine is sourced from PubChem (CID 175469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).