2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile

C5H4N2O3 — CID 55288379

IUPAC2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile
SMILESN#CC[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C5H4N2O3/c6-2-1-3-4(8)10-5(9)7-3/h3H,1H2,(H,7,9)/t3-/m0/s1
InChIKeyOKSQUMMTPOILBI-VKHMYHEASA-N
MW140.10 g/mol
LogP-0.46
Rot. Bonds1

About 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile

2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile (PubChem CID 55288379) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile
PubChem CID55288379
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile
SMILESN#CC[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C5H4N2O3/c6-2-1-3-4(8)10-5(9)7-3/h3H,1H2,(H,7,9)/t3-/m0/s1
InChIKeyOKSQUMMTPOILBI-VKHMYHEASA-N
XLogP-0.46
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile?
The IUPAC name of 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile (CID 55288379) is 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile is N#CC[C@@H]1NC(=O)OC1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile?
The InChIKey is OKSQUMMTPOILBI-VKHMYHEASA-N. The full InChI is InChI=1S/C5H4N2O3/c6-2-1-3-4(8)10-5(9)7-3/h3H,1H2,(H,7,9)/t3-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile?
2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile has a molecular weight of 140.10 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetonitrile is sourced from PubChem (CID 55288379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).