N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol

C10H16N2O6 — CID 142439196

IUPACN-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
SMILESCO.O=CC1(NC(=O)C2C(=O)ONC2O)CCC1
InChIInChI=1S/C9H12N2O5.CH4O/c12-4-9(2-1-3-9)10-6(13)5-7(14)11-16-8(5)15;1-2/h4-5,7,11,14H,1-3H2,(H,10,13);2H,1H3
InChIKeyKDWLUHRLXVIGFX-UHFFFAOYSA-N
MW260.25 g/mol
LogP-2.17
Rot. Bonds3

About N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol

N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol (PubChem CID 142439196) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol.

Molecular Properties

Compound NameN-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
PubChem CID142439196
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC NameN-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
SMILESCO.O=CC1(NC(=O)C2C(=O)ONC2O)CCC1
InChIInChI=1S/C9H12N2O5.CH4O/c12-4-9(2-1-3-9)10-6(13)5-7(14)11-16-8(5)15;1-2/h4-5,7,11,14H,1-3H2,(H,10,13);2H,1H3
InChIKeyKDWLUHRLXVIGFX-UHFFFAOYSA-N
XLogP-2.17
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
The IUPAC name of N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol (CID 142439196) is N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol.
What is the SMILES notation for N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
The canonical SMILES for N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol is CO.O=CC1(NC(=O)C2C(=O)ONC2O)CCC1.
What is the InChIKey of N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
The InChIKey is KDWLUHRLXVIGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5.CH4O/c12-4-9(2-1-3-9)10-6(13)5-7(14)11-16-8(5)15;1-2/h4-5,7,11,14H,1-3H2,(H,10,13);2H,1H3.
What are the key properties of N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol has a molecular weight of 260.25 g/mol, XLogP of -2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol is sourced from PubChem (CID 142439196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).