furan-2-yl-(3-phenylaziridin-2-yl)methanone

C13H11NO2 — CID 82070687

IUPACfuran-2-yl-(3-phenylaziridin-2-yl)methanone
SMILESO=C(c1ccco1)C1NC1c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(10-7-4-8-16-10)12-11(14-12)9-5-2-1-3-6-9/h1-8,11-12,14H
InChIKeyJKIPUAWORPLGEY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.18
Rot. Bonds3

About furan-2-yl-(3-phenylaziridin-2-yl)methanone

furan-2-yl-(3-phenylaziridin-2-yl)methanone (PubChem CID 82070687) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is furan-2-yl-(3-phenylaziridin-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-phenylaziridin-2-yl)methanone
PubChem CID82070687
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namefuran-2-yl-(3-phenylaziridin-2-yl)methanone
SMILESO=C(c1ccco1)C1NC1c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(10-7-4-8-16-10)12-11(14-12)9-5-2-1-3-6-9/h1-8,11-12,14H
InChIKeyJKIPUAWORPLGEY-UHFFFAOYSA-N
XLogP2.18
TPSA52.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone
CID 82070691
[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
CID 101449094
(2R,3S)-3-phenylaziridine-2-carboxamide
CID 23727454
2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
furan-2-carboxylic acid;gold
CID 174701575
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;pyrazine
CID 158159204
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
CID 98176128
furan-2-carboxylic acid;methanamine
CID 82372767

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-phenylaziridin-2-yl)methanone?
The IUPAC name of furan-2-yl-(3-phenylaziridin-2-yl)methanone (CID 82070687) is furan-2-yl-(3-phenylaziridin-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-phenylaziridin-2-yl)methanone?
The canonical SMILES for furan-2-yl-(3-phenylaziridin-2-yl)methanone is O=C(c1ccco1)C1NC1c1ccccc1.
What is the InChIKey of furan-2-yl-(3-phenylaziridin-2-yl)methanone?
The InChIKey is JKIPUAWORPLGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(10-7-4-8-16-10)12-11(14-12)9-5-2-1-3-6-9/h1-8,11-12,14H.
What are the key properties of furan-2-yl-(3-phenylaziridin-2-yl)methanone?
furan-2-yl-(3-phenylaziridin-2-yl)methanone has a molecular weight of 213.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-phenylaziridin-2-yl)methanone is sourced from PubChem (CID 82070687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).