1-(aziridin-1-yl)-2-phenoxyethanone

C10H11NO2 — CID 3053844

IUPAC1-(aziridin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CC1
InChIInChI=1S/C10H11NO2/c12-10(11-6-7-11)8-13-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyPVXVJDFPHRQLSW-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.91
Rot. Bonds3

About 1-(aziridin-1-yl)-2-phenoxyethanone

1-(aziridin-1-yl)-2-phenoxyethanone (PubChem CID 3053844) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(aziridin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(aziridin-1-yl)-2-phenoxyethanone
PubChem CID3053844
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(aziridin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CC1
InChIInChI=1S/C10H11NO2/c12-10(11-6-7-11)8-13-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyPVXVJDFPHRQLSW-UHFFFAOYSA-N
XLogP0.91
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.91
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-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
3,3-dimethyl-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798749
3-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 110346834

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(aziridin-1-yl)-2-phenoxyethanone (CID 3053844) is 1-(aziridin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(aziridin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(aziridin-1-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)-2-phenoxyethanone?
The InChIKey is PVXVJDFPHRQLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(11-6-7-11)8-13-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-(aziridin-1-yl)-2-phenoxyethanone?
1-(aziridin-1-yl)-2-phenoxyethanone has a molecular weight of 177.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 3053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).