[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone

C14H11NO3 — CID 114736959

IUPAC[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
SMILESNCc1ccc(C(=O)c2cc3ccccc3o2)o1
InChIInChI=1S/C14H11NO3/c15-8-10-5-6-12(17-10)14(16)13-7-9-3-1-2-4-11(9)18-13/h1-7H,8,15H2
InChIKeyQOKZPXQZRHLWQS-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.72
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone

[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone (PubChem CID 114736959) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
PubChem CID114736959
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
SMILESNCc1ccc(C(=O)c2cc3ccccc3o2)o1
InChIInChI=1S/C14H11NO3/c15-8-10-5-6-12(17-10)14(16)13-7-9-3-1-2-4-11(9)18-13/h1-7H,8,15H2
InChIKeyQOKZPXQZRHLWQS-UHFFFAOYSA-N
XLogP2.72
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)furan-2-yl]-naphthalen-1-ylmethanone
CID 116590185
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 116590130
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone (CID 114736959) is [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone is NCc1ccc(C(=O)c2cc3ccccc3o2)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone?
The InChIKey is QOKZPXQZRHLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-8-10-5-6-12(17-10)14(16)13-7-9-3-1-2-4-11(9)18-13/h1-7H,8,15H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone has a molecular weight of 241.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).