4-(aminomethyl)-1-ethylpyridin-2-one

C8H12N2O — CID 23569308

IUPAC4-(aminomethyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(CN)cc1=O
InChIInChI=1S/C8H12N2O/c1-2-10-4-3-7(6-9)5-8(10)11/h3-5H,2,6,9H2,1H3
InChIKeyQBXXBTJDUGHCTH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds2

About 4-(aminomethyl)-1-ethylpyridin-2-one

4-(aminomethyl)-1-ethylpyridin-2-one (PubChem CID 23569308) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethylpyridin-2-one
PubChem CID23569308
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(aminomethyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(CN)cc1=O
InChIInChI=1S/C8H12N2O/c1-2-10-4-3-7(6-9)5-8(10)11/h3-5H,2,6,9H2,1H3
InChIKeyQBXXBTJDUGHCTH-UHFFFAOYSA-N
XLogP0.33
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethylpyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1-ethylpyridin-2-one (CID 23569308) is 4-(aminomethyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-ethylpyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-ethylpyridin-2-one is CCn1ccc(CN)cc1=O.
What is the InChIKey of 4-(aminomethyl)-1-ethylpyridin-2-one?
The InChIKey is QBXXBTJDUGHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-4-3-7(6-9)5-8(10)11/h3-5H,2,6,9H2,1H3.
What are the key properties of 4-(aminomethyl)-1-ethylpyridin-2-one?
4-(aminomethyl)-1-ethylpyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 23569308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).