N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide

C11H20N2O2 — CID 108910537

IUPACN-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC/C=C/NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-5-6-12-11(14)13-7-9(2)15-10(3)8-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,12,14)/b6-5+
InChIKeyLWKIULYDHMMRGO-AATRIKPKSA-N
MW212.29 g/mol
LogP1.73
Rot. Bonds2

About N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108910537) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108910537
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC/C=C/NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-5-6-12-11(14)13-7-9(2)15-10(3)8-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,12,14)/b6-5+
InChIKeyLWKIULYDHMMRGO-AATRIKPKSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108910537) is N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide is CC/C=C/NC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is LWKIULYDHMMRGO-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-6-12-11(14)13-7-9(2)15-10(3)8-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,12,14)/b6-5+.
What are the key properties of N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).