[5-(aminomethyl)furan-2-yl]-phenylmethanone

C12H11NO2 — CID 82076464

IUPAC[5-(aminomethyl)furan-2-yl]-phenylmethanone
SMILESNCc1ccc(C(=O)c2ccccc2)o1
InChIInChI=1S/C12H11NO2/c13-8-10-6-7-11(15-10)12(14)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeyZTPSRIKOZYBPBL-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.97
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-phenylmethanone

[5-(aminomethyl)furan-2-yl]-phenylmethanone (PubChem CID 82076464) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-phenylmethanone
PubChem CID82076464
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name[5-(aminomethyl)furan-2-yl]-phenylmethanone
SMILESNCc1ccc(C(=O)c2ccccc2)o1
InChIInChI=1S/C12H11NO2/c13-8-10-6-7-11(15-10)12(14)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeyZTPSRIKOZYBPBL-UHFFFAOYSA-N
XLogP1.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-phenylmethanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-phenylmethanone (CID 82076464) is [5-(aminomethyl)furan-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-phenylmethanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-phenylmethanone is NCc1ccc(C(=O)c2ccccc2)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-phenylmethanone?
The InChIKey is ZTPSRIKOZYBPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-8-10-6-7-11(15-10)12(14)9-4-2-1-3-5-9/h1-7H,8,13H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-phenylmethanone?
[5-(aminomethyl)furan-2-yl]-phenylmethanone has a molecular weight of 201.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-phenylmethanone is sourced from PubChem (CID 82076464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).