N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

C10H13N3O4 — CID 142439154

IUPACN-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C#N)CCC2)C1O
InChIInChI=1S/C10H13N3O4/c1-13-8(15)6(9(16)17-13)7(14)12-10(5-11)3-2-4-10/h6,8,15H,2-4H2,1H3,(H,12,14)
InChIKeyVDFGDRKSGRGBLE-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.11
Rot. Bonds2

About N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439154) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439154
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C#N)CCC2)C1O
InChIInChI=1S/C10H13N3O4/c1-13-8(15)6(9(16)17-13)7(14)12-10(5-11)3-2-4-10/h6,8,15H,2-4H2,1H3,(H,12,14)
InChIKeyVDFGDRKSGRGBLE-UHFFFAOYSA-N
XLogP-1.11
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439154) is N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2(C#N)CCC2)C1O.
What is the InChIKey of N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is VDFGDRKSGRGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13-8(15)6(9(16)17-13)7(14)12-10(5-11)3-2-4-10/h6,8,15H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).