1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one

C11H12N2O2 — CID 82506623

IUPAC1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one
SMILESNCc1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C11H12N2O2/c12-7-9-4-5-10(15-9)8-13-6-2-1-3-11(13)14/h1-6H,7-8,12H2
InChIKeyASNXSUTXFGYRQX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.95
Rot. Bonds3

About 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one

1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one (PubChem CID 82506623) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one
PubChem CID82506623
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one
SMILESNCc1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C11H12N2O2/c12-7-9-4-5-10(15-9)8-13-6-2-1-3-11(13)14/h1-6H,7-8,12H2
InChIKeyASNXSUTXFGYRQX-UHFFFAOYSA-N
XLogP0.95
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one (CID 82506623) is 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one is NCc1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one?
The InChIKey is ASNXSUTXFGYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-9-4-5-10(15-9)8-13-6-2-1-3-11(13)14/h1-6H,7-8,12H2.
What are the key properties of 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one?
1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 82506623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).