3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one

C6H10N2O3 — CID 45096042

IUPAC3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1N=O
InChIInChI=1S/C6H10N2O3/c1-4(2)5-3-11-6(9)8(5)7-10/h4-5H,3H2,1-2H3
InChIKeyZMZMJOQQCLRYLJ-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.14
Rot. Bonds2

About 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one

3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 45096042) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID45096042
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1N=O
InChIInChI=1S/C6H10N2O3/c1-4(2)5-3-11-6(9)8(5)7-10/h4-5H,3H2,1-2H3
InChIKeyZMZMJOQQCLRYLJ-UHFFFAOYSA-N
XLogP1.14
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one (CID 45096042) is 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1N=O.
What is the InChIKey of 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZMZMJOQQCLRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(2)5-3-11-6(9)8(5)7-10/h4-5H,3H2,1-2H3.
What are the key properties of 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one?
3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 158.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45096042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).