3-methyl-1,3-oxazolidin-2-imine

C4H8N2O — CID 21475757

IUPAC3-methyl-1,3-oxazolidin-2-imine
SMILES[H]/N=C1\OCCN1C
InChIInChI=1S/C4H8N2O/c1-6-2-3-7-4(6)5/h5H,2-3H2,1H3/b5-4-
InChIKeyPPPKVHNDEQHSBX-PLNGDYQASA-N
MW100.12 g/mol
LogP-0.12
Rot. Bonds

About 3-methyl-1,3-oxazolidin-2-imine

3-methyl-1,3-oxazolidin-2-imine (PubChem CID 21475757) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-2-imine
PubChem CID21475757
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-methyl-1,3-oxazolidin-2-imine
SMILES[H]/N=C1\OCCN1C
InChIInChI=1S/C4H8N2O/c1-6-2-3-7-4(6)5/h5H,2-3H2,1H3/b5-4-
InChIKeyPPPKVHNDEQHSBX-PLNGDYQASA-N
XLogP-0.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-2-imine?
The IUPAC name of 3-methyl-1,3-oxazolidin-2-imine (CID 21475757) is 3-methyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-2-imine?
The canonical SMILES for 3-methyl-1,3-oxazolidin-2-imine is [H]/N=C1\OCCN1C.
What is the InChIKey of 3-methyl-1,3-oxazolidin-2-imine?
The InChIKey is PPPKVHNDEQHSBX-PLNGDYQASA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-2-3-7-4(6)5/h5H,2-3H2,1H3/b5-4-.
What are the key properties of 3-methyl-1,3-oxazolidin-2-imine?
3-methyl-1,3-oxazolidin-2-imine has a molecular weight of 100.12 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 21475757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).