1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one

C11H16N2O2 — CID 60930649

IUPAC1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one
SMILESCn1cc(NCC2CCOC2)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-13-7-10(2-3-11(13)14)12-6-9-4-5-15-8-9/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyAYOCEIYREGTTED-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds3

About 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one

1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one (PubChem CID 60930649) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one
PubChem CID60930649
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one
SMILESCn1cc(NCC2CCOC2)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-13-7-10(2-3-11(13)14)12-6-9-4-5-15-8-9/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyAYOCEIYREGTTED-UHFFFAOYSA-N
XLogP0.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336
N-(oxolan-3-ylmethyl)-1-propylpyrazol-4-amine
CID 115887965
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
CID 81244304
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
3-fluoro-4-methylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887991
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one (CID 60930649) is 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one is Cn1cc(NCC2CCOC2)ccc1=O.
What is the InChIKey of 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one?
The InChIKey is AYOCEIYREGTTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-10(2-3-11(13)14)12-6-9-4-5-15-8-9/h2-3,7,9,12H,4-6,8H2,1H3.
What are the key properties of 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one?
1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 60930649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).