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

C11H15N3O4 — CID 142439096

IUPACN-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESN#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1
InChIInChI=1S/C11H15N3O4/c12-6-11(4-2-1-3-5-11)13-8(15)7-9(16)14-18-10(7)17/h7,9,14,16H,1-5H2,(H,13,15)
InChIKeyZVYRIQSDGLMBRG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.67
Rot. Bonds2

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

N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439096) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439096
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESN#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1
InChIInChI=1S/C11H15N3O4/c12-6-11(4-2-1-3-5-11)13-8(15)7-9(16)14-18-10(7)17/h7,9,14,16H,1-5H2,(H,13,15)
InChIKeyZVYRIQSDGLMBRG-UHFFFAOYSA-N
XLogP-0.67
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 142439100
CID 142439100
CID 142439101
CID 142439101
CID 142439114
CID 142439114
CID 142439159
CID 142439159
CID 142439165
CID 142439165
CID 142439190
CID 142439190
CID 142439192
CID 142439192
CID 142439191
CID 142439191

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439096) is N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is N#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is ZVYRIQSDGLMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-6-11(4-2-1-3-5-11)13-8(15)7-9(16)14-18-10(7)17/h7,9,14,16H,1-5H2,(H,13,15).
What are the key properties of N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).