furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone

C16H17NO2 — CID 82070691

IUPACfuran-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone
SMILESCC(C)c1ccc(C2NC2C(=O)c2ccco2)cc1
InChIInChI=1S/C16H17NO2/c1-10(2)11-5-7-12(8-6-11)14-15(17-14)16(18)13-4-3-9-19-13/h3-10,14-15,17H,1-2H3
InChIKeyQUDPKNFWDDIPHH-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds4

About furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone

furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone (PubChem CID 82070691) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone
PubChem CID82070691
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namefuran-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone
SMILESCC(C)c1ccc(C2NC2C(=O)c2ccco2)cc1
InChIInChI=1S/C16H17NO2/c1-10(2)11-5-7-12(8-6-11)14-15(17-14)16(18)13-4-3-9-19-13/h3-10,14-15,17H,1-2H3
InChIKeyQUDPKNFWDDIPHH-UHFFFAOYSA-N
XLogP3.30
TPSA52.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone (CID 82070691) is furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone is CC(C)c1ccc(C2NC2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone?
The InChIKey is QUDPKNFWDDIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10(2)11-5-7-12(8-6-11)14-15(17-14)16(18)13-4-3-9-19-13/h3-10,14-15,17H,1-2H3.
What are the key properties of furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone?
furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone has a molecular weight of 255.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-propan-2-ylphenyl)aziridin-2-yl]methanone is sourced from PubChem (CID 82070691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).