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

C6H8N2O — CID 15079301

IUPAC4-(aminomethyl)-1H-pyridin-2-one
SMILESNCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,4,7H2,(H,8,9)
InChIKeyZYOSFZHXYZSRMA-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.17
Rot. Bonds1

About 4-(aminomethyl)-1H-pyridin-2-one

4-(aminomethyl)-1H-pyridin-2-one (PubChem CID 15079301) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1H-pyridin-2-one
PubChem CID15079301
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-(aminomethyl)-1H-pyridin-2-one
SMILESNCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,4,7H2,(H,8,9)
InChIKeyZYOSFZHXYZSRMA-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 4-(aminomethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1H-pyridin-2-one (CID 15079301) is 4-(aminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1H-pyridin-2-one is NCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(aminomethyl)-1H-pyridin-2-one?
The InChIKey is ZYOSFZHXYZSRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,4,7H2,(H,8,9).
What are the key properties of 4-(aminomethyl)-1H-pyridin-2-one?
4-(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 4-(aminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 15079301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).