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

C10H16N2O2 — CID 19987380

IUPAC4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC=C(CC2COC(=O)N2)C1
InChIInChI=1S/C10H16N2O2/c1-12-4-2-3-8(6-12)5-9-7-14-10(13)11-9/h3,9H,2,4-7H2,1H3,(H,11,13)
InChIKeyNZNCMWOQZWZDBN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.75
Rot. Bonds2

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

4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 19987380) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID19987380
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC=C(CC2COC(=O)N2)C1
InChIInChI=1S/C10H16N2O2/c1-12-4-2-3-8(6-12)5-9-7-14-10(13)11-9/h3,9H,2,4-7H2,1H3,(H,11,13)
InChIKeyNZNCMWOQZWZDBN-UHFFFAOYSA-N
XLogP0.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
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 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (CID 19987380) is 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is CN1CCC=C(CC2COC(=O)N2)C1.
What is the InChIKey of 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NZNCMWOQZWZDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-4-2-3-8(6-12)5-9-7-14-10(13)11-9/h3,9H,2,4-7H2,1H3,(H,11,13).
What are the key properties of 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).