4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one

C13H20N2O2 — CID 62986607

IUPAC4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
SMILESCc1ccn(CCNCC2CCOC2)c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-11-2-5-15(13(16)8-11)6-4-14-9-12-3-7-17-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3
InChIKeyLAOHMSDTRPLQGG-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.78
Rot. Bonds5

About 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one

4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one (PubChem CID 62986607) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
PubChem CID62986607
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
SMILESCc1ccn(CCNCC2CCOC2)c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-11-2-5-15(13(16)8-11)6-4-14-9-12-3-7-17-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3
InChIKeyLAOHMSDTRPLQGG-UHFFFAOYSA-N
XLogP0.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104751404
5-bromo-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 66309421
1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one
CID 55151989
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one
CID 62987133
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717
1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
CID 107918833
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one (CID 62986607) is 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one is Cc1ccn(CCNCC2CCOC2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one?
The InChIKey is LAOHMSDTRPLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-2-5-15(13(16)8-11)6-4-14-9-12-3-7-17-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3.
What are the key properties of 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one?
4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 62986607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).