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

C8H14N2O — CID 144769744

IUPAC5-(aminomethyl)-1H-pyridin-2-one;ethane
SMILESCC.NCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O.C2H6/c7-3-5-1-2-6(9)8-4-5;1-2/h1-2,4H,3,7H2,(H,8,9);1-2H3
InChIKeyKOFOQSOHXXJUDN-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.86
Rot. Bonds1

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

5-(aminomethyl)-1H-pyridin-2-one;ethane (PubChem CID 144769744) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyridin-2-one;ethane
PubChem CID144769744
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(aminomethyl)-1H-pyridin-2-one;ethane
SMILESCC.NCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O.C2H6/c7-3-5-1-2-6(9)8-4-5;1-2/h1-2,4H,3,7H2,(H,8,9);1-2H3
InChIKeyKOFOQSOHXXJUDN-UHFFFAOYSA-N
XLogP0.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.86
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;ethane?
The IUPAC name of 5-(aminomethyl)-1H-pyridin-2-one;ethane (CID 144769744) is 5-(aminomethyl)-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-(aminomethyl)-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-(aminomethyl)-1H-pyridin-2-one;ethane is CC.NCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(aminomethyl)-1H-pyridin-2-one;ethane?
The InChIKey is KOFOQSOHXXJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c7-3-5-1-2-6(9)8-4-5;1-2/h1-2,4H,3,7H2,(H,8,9);1-2H3.
What are the key properties of 5-(aminomethyl)-1H-pyridin-2-one;ethane?
5-(aminomethyl)-1H-pyridin-2-one;ethane has a molecular weight of 154.21 g/mol, XLogP of 0.86, 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;ethane is sourced from PubChem (CID 144769744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).