(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one

C8H14N2O2 — CID 158041557

IUPAC(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one
SMILES[H]/N=C(\C)CC[C@@H]1CN(C)C(=O)O1
InChIInChI=1S/C8H14N2O2/c1-6(9)3-4-7-5-10(2)8(11)12-7/h7,9H,3-5H2,1-2H3/b9-6+/t7-/m1/s1
InChIKeyJVVCUKNVPXQZDT-TUOMEMKJSA-N
MW170.21 g/mol
LogP1.26
Rot. Bonds3

About (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one

(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 158041557) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID158041557
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one
SMILES[H]/N=C(\C)CC[C@@H]1CN(C)C(=O)O1
InChIInChI=1S/C8H14N2O2/c1-6(9)3-4-7-5-10(2)8(11)12-7/h7,9H,3-5H2,1-2H3/b9-6+/t7-/m1/s1
InChIKeyJVVCUKNVPXQZDT-TUOMEMKJSA-N
XLogP1.26
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one (CID 158041557) is (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one is [H]/N=C(\C)CC[C@@H]1CN(C)C(=O)O1.
What is the InChIKey of (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is JVVCUKNVPXQZDT-TUOMEMKJSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(9)3-4-7-5-10(2)8(11)12-7/h7,9H,3-5H2,1-2H3/b9-6+/t7-/m1/s1.
What are the key properties of (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one?
(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158041557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).