[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone

C13H11NO2 — CID 101449094

IUPAC[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1NC1c1ccco1
InChIInChI=1S/C13H11NO2/c15-13(9-5-2-1-3-6-9)12-11(14-12)10-7-4-8-16-10/h1-8,11-12,14H
InChIKeyLRQBBFOMCKAEJI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.18
Rot. Bonds3

About [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone

[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone (PubChem CID 101449094) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
PubChem CID101449094
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1NC1c1ccco1
InChIInChI=1S/C13H11NO2/c15-13(9-5-2-1-3-6-9)12-11(14-12)10-7-4-8-16-10/h1-8,11-12,14H
InChIKeyLRQBBFOMCKAEJI-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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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone?
The IUPAC name of [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone (CID 101449094) is [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone is O=C(c1ccccc1)C1NC1c1ccco1.
What is the InChIKey of [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone?
The InChIKey is LRQBBFOMCKAEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(9-5-2-1-3-6-9)12-11(14-12)10-7-4-8-16-10/h1-8,11-12,14H.
What are the key properties of [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone?
[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone 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 [3-(furan-2-yl)aziridin-2-yl]-phenylmethanone is sourced from PubChem (CID 101449094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).