3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one

C10H11N3O2 — CID 11447060

IUPAC3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C/N=C/c1cccnc1
InChIInChI=1S/C10H11N3O2/c14-10-13(4-5-15-10)8-12-7-9-2-1-3-11-6-9/h1-3,6-7H,4-5,8H2/b12-7+
InChIKeyIEDFOIRFLVWFDE-KPKJPENVSA-N
MW205.22 g/mol
LogP0.91
Rot. Bonds3

About 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one

3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 11447060) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one
PubChem CID11447060
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C/N=C/c1cccnc1
InChIInChI=1S/C10H11N3O2/c14-10-13(4-5-15-10)8-12-7-9-2-1-3-11-6-9/h1-3,6-7H,4-5,8H2/b12-7+
InChIKeyIEDFOIRFLVWFDE-KPKJPENVSA-N
XLogP0.91
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione,hydrochloride
CID 3056416
Diethyl (pyridin-3-ylmethylene)dicarbamate
CID 261476
Ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate
CID 2777155
(R)-5-methyl-3-(4-(pyridin-4-yl)benzyl)oxazolidin-2-one
CID 44591774
(R)-5-methyl-3-(4-(pyridin-3-yl)benzyl)oxazolidin-2-one
CID 44591792
(R)-7-(pyridin-3-ylmethyl)tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 77059093
ethyl 1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
CID 18953633
1-Butyl-1-(2-ethoxyethyl)-3-(3-pyridin-4-ylpropyl)urea
CID 49863212
(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537138
3-[3-Pyridyl]-2-oxazolidinone
CID 556038
tert-Butyl 3-(pyridin-4-yl)pyrrolidine-1-carboxylate
CID 71743597
(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 11334818

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one (CID 11447060) is 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1C/N=C/c1cccnc1.
What is the InChIKey of 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IEDFOIRFLVWFDE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10-13(4-5-15-10)8-12-7-9-2-1-3-11-6-9/h1-3,6-7H,4-5,8H2/b12-7+.
What are the key properties of 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one?
3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11447060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).