1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C9H17NO2 — CID 167346885

IUPAC1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CN1C(=O)COC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7-5-10(7)8(11)6-12-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyRJJPTBIEGPESCT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 167346885) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID167346885
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CN1C(=O)COC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7-5-10(7)8(11)6-12-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyRJJPTBIEGPESCT-UHFFFAOYSA-N
XLogP1.03
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968533
1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605480
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603434
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603485
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
CID 110460531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 167346885) is 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CN1C(=O)COC(C)(C)C.
What is the InChIKey of 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is RJJPTBIEGPESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-10(7)8(11)6-12-9(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 167346885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).