N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C13H20N2O3 — CID 110647537

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H,14,16)
InChIKeyQHQUMBCXRYOOKH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 110647537) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID110647537
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1C(=O)OCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H,14,16)
InChIKeyQHQUMBCXRYOOKH-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 110647537) is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CN1C(=O)OCC1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is QHQUMBCXRYOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-11(9-18-13(15)17)12(16)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).