aziridin-1-yl-(4-ethoxyphenyl)methanone

C11H13NO2 — CID 121216936

IUPACaziridin-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC2)cc1
InChIInChI=1S/C11H13NO2/c1-2-14-10-5-3-9(4-6-10)11(13)12-7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyMWCYVBVSZSZYTO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds3

About aziridin-1-yl-(4-ethoxyphenyl)methanone

aziridin-1-yl-(4-ethoxyphenyl)methanone (PubChem CID 121216936) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is aziridin-1-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(4-ethoxyphenyl)methanone
PubChem CID121216936
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameaziridin-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC2)cc1
InChIInChI=1S/C11H13NO2/c1-2-14-10-5-3-9(4-6-10)11(13)12-7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyMWCYVBVSZSZYTO-UHFFFAOYSA-N
XLogP1.54
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
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-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(4-ethoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816656
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of aziridin-1-yl-(4-ethoxyphenyl)methanone (CID 121216936) is aziridin-1-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for aziridin-1-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for aziridin-1-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CC2)cc1.
What is the InChIKey of aziridin-1-yl-(4-ethoxyphenyl)methanone?
The InChIKey is MWCYVBVSZSZYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-10-5-3-9(4-6-10)11(13)12-7-8-12/h3-6H,2,7-8H2,1H3.
What are the key properties of aziridin-1-yl-(4-ethoxyphenyl)methanone?
aziridin-1-yl-(4-ethoxyphenyl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 121216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).