5-(aminomethyl)-1H-pyridin-2-one

C6H8N2O — CID 14846981

IUPAC5-(aminomethyl)-1H-pyridin-2-one
SMILESNCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
InChIKeyCSVYITCBZGOVBG-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.17
Rot. Bonds1

About 5-(aminomethyl)-1H-pyridin-2-one

5-(aminomethyl)-1H-pyridin-2-one (PubChem CID 14846981) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyridin-2-one
PubChem CID14846981
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-(aminomethyl)-1H-pyridin-2-one
SMILESNCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
InChIKeyCSVYITCBZGOVBG-UHFFFAOYSA-N
XLogP-0.17
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1H-pyridin-2-one (CID 14846981) is 5-(aminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1H-pyridin-2-one is NCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(aminomethyl)-1H-pyridin-2-one?
The InChIKey is CSVYITCBZGOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9).
What are the key properties of 5-(aminomethyl)-1H-pyridin-2-one?
5-(aminomethyl)-1H-pyridin-2-one has a molecular weight of 124.14 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 14846981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).