3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one

C10H16N2O2 — CID 82188978

IUPAC3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C10H16N2O2/c1-8-3-4-9(7-11)10(13)12(8)5-6-14-2/h3-4H,5-7,11H2,1-2H3
InChIKeyDNOXKHHSLPTLEZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds4

About 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 82188978) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID82188978
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C10H16N2O2/c1-8-3-4-9(7-11)10(13)12(8)5-6-14-2/h3-4H,5-7,11H2,1-2H3
InChIKeyDNOXKHHSLPTLEZ-UHFFFAOYSA-N
XLogP0.26
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 82188978) is 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is DNOXKHHSLPTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-3-4-9(7-11)10(13)12(8)5-6-14-2/h3-4H,5-7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 82188978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).