3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one

C11H18N2O2 — CID 19987394

IUPAC3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC=C(CC2COC(=O)N2C)C1
InChIInChI=1S/C11H18N2O2/c1-12-5-3-4-9(7-12)6-10-8-15-11(14)13(10)2/h4,10H,3,5-8H2,1-2H3
InChIKeyLQMFMHGCENGQFW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds2

About 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one

3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 19987394) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID19987394
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC=C(CC2COC(=O)N2C)C1
InChIInChI=1S/C11H18N2O2/c1-12-5-3-4-9(7-12)6-10-8-15-11(14)13(10)2/h4,10H,3,5-8H2,1-2H3
InChIKeyLQMFMHGCENGQFW-UHFFFAOYSA-N
XLogP1.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (CID 19987394) is 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is CN1CCC=C(CC2COC(=O)N2C)C1.
What is the InChIKey of 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LQMFMHGCENGQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-5-3-4-9(7-12)6-10-8-15-11(14)13(10)2/h4,10H,3,5-8H2,1-2H3.
What are the key properties of 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).