furan-2-yl-(2-methylaziridin-1-yl)methanone

C8H9NO2 — CID 71425455

IUPACfuran-2-yl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)c1ccco1
InChIInChI=1S/C8H9NO2/c1-6-5-9(6)8(10)7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyRELWUNLCEYYAMG-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.12
Rot. Bonds1

About furan-2-yl-(2-methylaziridin-1-yl)methanone

furan-2-yl-(2-methylaziridin-1-yl)methanone (PubChem CID 71425455) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is furan-2-yl-(2-methylaziridin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-methylaziridin-1-yl)methanone
PubChem CID71425455
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Namefuran-2-yl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)c1ccco1
InChIInChI=1S/C8H9NO2/c1-6-5-9(6)8(10)7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyRELWUNLCEYYAMG-UHFFFAOYSA-N
XLogP1.12
TPSA33.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.12
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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
CID 122273237
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methylaziridin-1-yl)methanone?
The IUPAC name of furan-2-yl-(2-methylaziridin-1-yl)methanone (CID 71425455) is furan-2-yl-(2-methylaziridin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-methylaziridin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(2-methylaziridin-1-yl)methanone is CC1CN1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methylaziridin-1-yl)methanone?
The InChIKey is RELWUNLCEYYAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-5-9(6)8(10)7-3-2-4-11-7/h2-4,6H,5H2,1H3.
What are the key properties of furan-2-yl-(2-methylaziridin-1-yl)methanone?
furan-2-yl-(2-methylaziridin-1-yl)methanone has a molecular weight of 151.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methylaziridin-1-yl)methanone is sourced from PubChem (CID 71425455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).