3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one

C10H14N2O2 — CID 137449099

IUPAC3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-9-3-2-5-12(10(9)13)8-4-6-14-7-8/h2-3,5,8,11H,4,6-7H2,1H3/t8-/m0/s1
InChIKeyLDKPRFGONSVDQA-QMMMGPOBSA-N
MW194.23 g/mol
LogP0.85
Rot. Bonds2

About 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one

3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one (PubChem CID 137449099) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one
PubChem CID137449099
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-9-3-2-5-12(10(9)13)8-4-6-14-7-8/h2-3,5,8,11H,4,6-7H2,1H3/t8-/m0/s1
InChIKeyLDKPRFGONSVDQA-QMMMGPOBSA-N
XLogP0.85
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one (CID 137449099) is 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one is CNc1cccn([C@H]2CCOC2)c1=O.
What is the InChIKey of 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The InChIKey is LDKPRFGONSVDQA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-9-3-2-5-12(10(9)13)8-4-6-14-7-8/h2-3,5,8,11H,4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(3S)-oxolan-3-yl]pyridin-2-one is sourced from PubChem (CID 137449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).