4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

C8H11N5O3 — CID 168655692

IUPAC4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2CONC2=O)C1
InChIInChI=1S/C8H11N5O3/c9-12-10-2-5-1-7(14)13(3-5)6-4-16-11-8(6)15/h5-6H,1-4H2,(H,11,15)
InChIKeyGGTXGJTUDXWGHF-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.42
Rot. Bonds3

About 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (PubChem CID 168655692) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
PubChem CID168655692
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2CONC2=O)C1
InChIInChI=1S/C8H11N5O3/c9-12-10-2-5-1-7(14)13(3-5)6-4-16-11-8(6)15/h5-6H,1-4H2,(H,11,15)
InChIKeyGGTXGJTUDXWGHF-UHFFFAOYSA-N
XLogP-0.42
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
CID 168661774
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
CID 168658949
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
1-(azepan-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655718
4-(azidomethyl)-1-(2,3-dimethylcyclohexyl)pyrrolidin-2-one
CID 168655381
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
tert-butyl 3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168655818
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 168656824

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (CID 168655692) is 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is [N-]=[N+]=NCC1CC(=O)N(C2CONC2=O)C1.
What is the InChIKey of 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The InChIKey is GGTXGJTUDXWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-12-10-2-5-1-7(14)13(3-5)6-4-16-11-8(6)15/h5-6H,1-4H2,(H,11,15).
What are the key properties of 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one has a molecular weight of 225.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 168655692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).